5-[(1R)-2-[2-[4-[[4-(2-azanyl-2-methyl-propoxy)phenyl]amino]phenyl]ethylamino]-1-oxidanyl-ethyl]-8-oxidanyl-1H-quinolin-2-one; (E)-3-(4-methylphenyl)prop-2-enoic acid

Systemtic Name: 5-[(1R)-2-[2-[4-[[4-(2-azanyl-2-methyl-propoxy)phenyl]amino]phenyl]ethylamino]-1-oxidanyl-ethyl]-8-oxidanyl-1H-quinolin-2-one; (E)-3-(4-methylphenyl)prop-2-enoic acid Openeye Name: 5-[(1R)-2-[2-[4-[4-(2-amino-2-methyl-propoxy)anilino]phenyl]ethylamino]-1-hydroxy-ethyl]-8-hydroxy-1H-quinolin-2-one; (E)-3-(p-tolyl)prop-2-enoic acid CAS Name: 5-[(1R)-2-[2-[4-[4-(2-amino-2-methylpropoxy)anilino]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one; (E)-3-(4-methylphenyl)-2-propenoic acid IUPAC Name: 5-[(1R)-2-[2-[4-[4-(2-amino-2-methylpropoxy)anilino]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one; (E)-3-(4-methylphenyl)prop-2-enoic acid Traditional Name: 5-[(1R)-2-[2-[4-[4-(2-amino-2-methyl-propoxy)anilino]phenyl]ethylamino]-1-hydroxy-ethyl]-8-hydroxy-carbostyril; (E)-3-(p-tolyl)acrylic acid Formula: C39H44N4O6 MolecularWeight: 664.78986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)O.CC(C)(COC1=CC=C(C=C1)NC2=CC=C(C=C2)CCNCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)O.CC(C)(COC1=CC=C(C=C1)NC2=CC=C(C=C2)CCNC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)N

InChI

InChI=1S/C29H34N4O4.C10H10O2/c1-29(2,30)18-37-22-9-7-21(8-10-22)32-20-5-3-19(4-6-20)15-16-31-17-26(35)23-11-13-25(34)28-24(23)12-14-27(36)33-28;1-8-2-4-9(5-3-8)6-7-10(11)12/h3-14,26,31-32,34-35H,15-18,30H2,1-2H3,(H,33,36);2-7H,1H3,(H,11,12)/b;7-6+/t26-;/m0./s1