4-[2-[1-[2-(3-methylpiperidin-1-yl)phenyl]ethylamino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-[1-[2-(3-methylpiperidin-1-yl)phenyl]ethylamino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[1-[2-(3-methyl-1-piperidyl)phenyl]ethylamino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[1-[2-(3-methyl-1-piperidinyl)phenyl]ethylamino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[1-[2-(3-methylpiperidin-1-yl)phenyl]ethylamino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-keto-2-[1-[2-(3-methylpiperidino)phenyl]ethylamino]ethyl]benzoic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC=CC=C2C(C)NC(=O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1CCCN(C1)C2=CC=CC=C2C(C)NC(=O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H28N2O3/c1-16-6-5-13-25(15-16)21-8-4-3-7-20(21)17(2)24-22(26)14-18-9-11-19(12-10-18)23(27)28/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,24,26)(H,27,28)