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

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-[[(4-methylnaphthalen-1-yl)-(2-methyl-6-piperidin-1-yl-phenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 5-bromo-2-methoxy-4-[2-[[(4-methyl-1-naphthyl)-[2-methyl-6-(1-piperidyl)phenyl]methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-[[(4-methyl-1-naphthalenyl)-[2-methyl-6-(1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-[[(4-methylnaphthalen-1-yl)-(2-methyl-6-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 5-bromo-4-[2-keto-2-[[(4-methyl-1-naphthyl)-(2-methyl-6-piperidino-phenyl)methyl]amino]ethyl]-2-methoxy-benzoic acid Formula: C34H35BrN2O4 MolecularWeight: 615.5567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=C(C4=CC=CC=C43)C)NC(=O)CC5=C(C=C(C(=C5)OC)C(=O)O)Br

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=C(C4=CC=CC=C43)C)NC(=O)CC5=C(C=C(C(=C5)OC)C(=O)O)Br

InChI

InChI=1S/C34H35BrN2O4/c1-21-14-15-26(25-12-6-5-11-24(21)25)33(32-22(2)10-9-13-29(32)37-16-7-4-8-17-37)36-31(38)19-23-18-30(41-3)27(34(39)40)20-28(23)35/h5-6,9-15,18,20,33H,4,7-8,16-17,19H2,1-3H3,(H,36,38)(H,39,40)