4-[2-[[2-cyclopropyl-1-(2-piperidin-1-ylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid

Systemtic Name: 4-[2-[[2-cyclopropyl-1-(2-piperidin-1-ylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid Openeye Name: 4-[2-[[2-cyclopropyl-1-[2-(1-piperidyl)phenyl]ethyl]amino]-2-oxo-ethyl]-2-ethoxy-benzoic acid CAS Name: 4-[2-[[2-cyclopropyl-1-[2-(1-piperidinyl)phenyl]ethyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid IUPAC Name: 4-[2-[[2-cyclopropyl-1-(2-piperidin-1-ylphenyl)ethyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid Traditional Name: 4-[2-[[2-cyclopropyl-1-(2-piperidinophenyl)ethyl]amino]-2-keto-ethyl]-2-ethoxy-benzoic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)NC(CC2CC2)C3=CC=CC=C3N4CCCCC4)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)NC(CC2CC2)C3=CC=CC=C3N4CCCCC4)C(=O)O

InChI

InChI=1S/C27H34N2O4/c1-2-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19-10-11-19)21-8-4-5-9-24(21)29-14-6-3-7-15-29/h4-5,8-9,12-13,17,19,23H,2-3,6-7,10-11,14-16,18H2,1H3,(H,28,30)(H,31,32)