3-[3-[2-[(4-carboxyphenyl)methyl-[2-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxidanylidene-ethyl]phenyl]benzoic acid

Systemtic Name: 3-[3-[2-[(4-carboxyphenyl)methyl-[2-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxidanylidene-ethyl]phenyl]benzoic acid Openeye Name: 3-[3-[2-[(2-benzyltetralin-1-yl)-[(4-carboxyphenyl)methyl]amino]-2-oxo-ethyl]phenyl]benzoic acid CAS Name: 3-[3-[2-[(4-carboxyphenyl)methyl-[2-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]phenyl]benzoic acid IUPAC Name: 3-[3-[2-[(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-[(4-carboxyphenyl)methyl]amino]-2-oxoethyl]phenyl]benzoic acid Traditional Name: 3-[3-[2-[(2-benzyltetralin-1-yl)-(4-carboxybenzyl)amino]-2-keto-ethyl]phenyl]benzoic acid Formula: C40H35NO5 MolecularWeight: 609.7096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(C1CC3=CC=CC=C3)N(CC4=CC=C(C=C4)C(=O)O)C(=O)CC5=CC=CC(=C5)C6=CC(=CC=C6)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2C(C1CC3=CC=CC=C3)N(CC4=CC=C(C=C4)C(=O)O)C(=O)CC5=CC=CC(=C5)C6=CC(=CC=C6)C(=O)O

InChI

InChI=1S/C40H35NO5/c42-37(24-29-10-6-12-32(23-29)33-13-7-14-35(25-33)40(45)46)41(26-28-16-18-31(19-17-28)39(43)44)38-34(22-27-8-2-1-3-9-27)21-20-30-11-4-5-15-36(30)38/h1-19,23,25,34,38H,20-22,24,26H2,(H,43,44)(H,45,46)