4-[2-[[(4-methoxyphenyl)-(2-methyl-6-piperidin-1-yl-phenyl)methyl]amino]-2-oxidanylidene-ethyl]naphthalene-1-carboxylic acid

Systemtic Name: 4-[2-[[(4-methoxyphenyl)-(2-methyl-6-piperidin-1-yl-phenyl)methyl]amino]-2-oxidanylidene-ethyl]naphthalene-1-carboxylic acid Openeye Name: 4-[2-[[(4-methoxyphenyl)-[2-methyl-6-(1-piperidyl)phenyl]methyl]amino]-2-oxo-ethyl]naphthalene-1-carboxylic acid CAS Name: 4-[2-[[(4-methoxyphenyl)-[2-methyl-6-(1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]-1-naphthalenecarboxylic acid IUPAC Name: 4-[2-[[(4-methoxyphenyl)-(2-methyl-6-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]naphthalene-1-carboxylic acid Traditional Name: 4-[2-keto-2-[[(4-methoxyphenyl)-(2-methyl-6-piperidino-phenyl)methyl]amino]ethyl]-1-naphthoic acid Formula: C33H34N2O4 MolecularWeight: 522.63406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=C(C=C3)OC)NC(=O)CC4=CC=C(C5=CC=CC=C45)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=C(C=C3)OC)NC(=O)CC4=CC=C(C5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C33H34N2O4/c1-22-9-8-12-29(35-19-6-3-7-20-35)31(22)32(23-13-16-25(39-2)17-14-23)34-30(36)21-24-15-18-28(33(37)38)27-11-5-4-10-26(24)27/h4-5,8-18,32H,3,6-7,19-21H2,1-2H3,(H,34,36)(H,37,38)