4-[[4-(3-methyl-4-propan-2-yl-phenoxy)phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(3-methyl-4-propan-2-yl-phenoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(4-isopropyl-3-methyl-phenoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[4-(3-methyl-4-propan-2-ylphenoxy)phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[4-(3-methyl-4-propan-2-ylphenoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[4-(4-isopropyl-3-methyl-phenoxy)benzyl]amino]-4-keto-butyrate Formula: C21H24NO4- MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-14(2)19-9-8-18(12-15(19)3)26-17-6-4-16(5-7-17)13-22-20(23)10-11-21(24)25/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23)(H,24,25)/p-1