3-(4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butyl)-4-[(phenethylamino)methyl]benzoic acid

Systemtic Name: 3-(4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butyl)-4-[(phenethylamino)methyl]benzoic acid Openeye Name: 3-(4-methoxy-2-methoxycarbonyl-4-oxo-butyl)-4-[(phenethylamino)methyl]benzoic acid CAS Name: 3-(4-methoxy-2-methoxycarbonyl-4-oxobutyl)-4-[(phenethylamino)methyl]benzoic acid IUPAC Name: 3-(4-methoxy-2-methoxycarbonyl-4-oxobutyl)-4-[(phenethylamino)methyl]benzoic acid Traditional Name: 3-(2-carbomethoxy-4-keto-4-methoxy-butyl)-4-[(phenethylamino)methyl]benzoic acid Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=C(C=CC(=C1)C(=O)O)CNCCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)CC(CC1=C(C=CC(=C1)C(=O)O)CNCCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C23H27NO6/c1-29-21(25)14-20(23(28)30-2)13-19-12-17(22(26)27)8-9-18(19)15-24-11-10-16-6-4-3-5-7-16/h3-9,12,20,24H,10-11,13-15H2,1-2H3,(H,26,27)