2-methoxy-4-[[(2-methyl-6-piperidin-1-yl-phenyl)-phenyl-methyl]carbamoylamino]benzoic acid

Systemtic Name: 2-methoxy-4-[[(2-methyl-6-piperidin-1-yl-phenyl)-phenyl-methyl]carbamoylamino]benzoic acid Openeye Name: 2-methoxy-4-[[[2-methyl-6-(1-piperidyl)phenyl]-phenyl-methyl]carbamoylamino]benzoic acid CAS Name: 2-methoxy-4-[[[[[2-methyl-6-(1-piperidinyl)phenyl]-phenylmethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 2-methoxy-4-[[(2-methyl-6-piperidin-1-ylphenyl)-phenylmethyl]carbamoylamino]benzoic acid Traditional Name: 2-methoxy-4-[[(2-methyl-6-piperidino-phenyl)-phenyl-methyl]carbamoylamino]benzoic acid Formula: C28H31N3O4 MolecularWeight: 473.56344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=CC=C3)NC(=O)NC4=CC(=C(C=C4)C(=O)O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=CC=C3)NC(=O)NC4=CC(=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C28H31N3O4/c1-19-10-9-13-23(31-16-7-4-8-17-31)25(19)26(20-11-5-3-6-12-20)30-28(34)29-21-14-15-22(27(32)33)24(18-21)35-2/h3,5-6,9-15,18,26H,4,7-8,16-17H2,1-2H3,(H,32,33)(H2,29,30,34)