1-methyl-3-[(Z,5S)-5-[(3-methyl-4-oxidanyl-phenyl)amino]-5-phenyl-pent-2-enoyl]-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 1-methyl-3-[(Z,5S)-5-[(3-methyl-4-oxidanyl-phenyl)amino]-5-phenyl-pent-2-enoyl]-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-[(Z,5S)-5-(4-hydroxy-3-methyl-anilino)-5-phenyl-pent-2-enoyl]-1-methyl-4-oxo-quinolin-2-olate CAS Name: 3-[(Z,5S)-5-(4-hydroxy-3-methylanilino)-1-oxo-5-phenylpent-2-enyl]-1-methyl-4-oxo-2-quinolinolate IUPAC Name: 3-[(Z,5S)-5-(4-hydroxy-3-methylanilino)-5-phenylpent-2-enoyl]-1-methyl-4-oxoquinolin-2-olate Traditional Name: 3-[(Z,5S)-5-(4-hydroxy-3-methyl-anilino)-5-phenyl-pent-2-enoyl]-4-keto-1-methyl-quinolin-2-olate Formula: C28H25N2O4- MolecularWeight: 453.5091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(CC=CC(=O)C2=C(N(C3=CC=CC=C3C2=O)C)[O-])C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC(=C1)N[C@@H](C/C=C\C(=O)C2=C(N(C3=CC=CC=C3C2=O)C)[O-])C4=CC=CC=C4)O

InChI

InChI=1S/C28H26N2O4/c1-18-17-20(15-16-24(18)31)29-22(19-9-4-3-5-10-19)12-8-14-25(32)26-27(33)21-11-6-7-13-23(21)30(2)28(26)34/h3-11,13-17,22,29,31,34H,12H2,1-2H3/p-1/b14-8-/t22-/m0/s1