5-bromanyl-2-methoxy-4-[2-[[(2-methyl-6-piperidin-1-yl-phenyl)-naphthalen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-[[(2-methyl-6-piperidin-1-yl-phenyl)-naphthalen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 5-bromo-2-methoxy-4-[2-[[[2-methyl-6-(1-piperidyl)phenyl]-(2-naphthyl)methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-[[[2-methyl-6-(1-piperidinyl)phenyl]-(2-naphthalenyl)methyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-[[(2-methyl-6-piperidin-1-ylphenyl)-naphthalen-2-ylmethyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 5-bromo-4-[2-keto-2-[[(2-methyl-6-piperidino-phenyl)-(2-naphthyl)methyl]amino]ethyl]-2-methoxy-benzoic acid Formula: C33H33BrN2O4 MolecularWeight: 601.53012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC4=CC=CC=C4C=C3)NC(=O)CC5=C(C=C(C(=C5)OC)C(=O)O)Br

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC4=CC=CC=C4C=C3)NC(=O)CC5=C(C=C(C(=C5)OC)C(=O)O)Br

InChI

InChI=1S/C33H33BrN2O4/c1-21-9-8-12-28(36-15-6-3-7-16-36)31(21)32(24-14-13-22-10-4-5-11-23(22)17-24)35-30(37)19-25-18-29(40-2)26(33(38)39)20-27(25)34/h4-5,8-14,17-18,20,32H,3,6-7,15-16,19H2,1-2H3,(H,35,37)(H,38,39)