4-[2-[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[4-(2-isopropyl-5-methyl-phenoxy)phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[4-(2-isopropyl-5-methyl-phenoxy)phenyl]ethylamino]-4-keto-butyrate Formula: C22H26NO4- MolecularWeight: 368.44614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H27NO4/c1-15(2)19-9-4-16(3)14-20(19)27-18-7-5-17(6-8-18)12-13-23-21(24)10-11-22(25)26/h4-9,14-15H,10-13H2,1-3H3,(H,23,24)(H,25,26)/p-1