1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]carbonylpiperidin-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]carbonylpiperidin-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[[1-[3-methoxy-4-(o-tolylcarbamoylamino)benzoyl]-4-piperidyl]methylcarbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[[[1-[[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-oxomethyl]-4-piperidinyl]methylamino]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]benzoyl]piperidin-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[[1-[3-methoxy-4-(o-tolylcarbamoylamino)benzoyl]-4-piperidyl]methylcarbamoyl]nipecotic acid Formula: C29H37N5O6 MolecularWeight: 551.63398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)C(=O)N3CCC(CC3)CNC(=O)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)C(=O)N3CCC(CC3)CNC(=O)N4CCCC(C4)C(=O)O)OC

InChI

InChI=1S/C29H37N5O6/c1-19-6-3-4-8-23(19)31-28(38)32-24-10-9-21(16-25(24)40-2)26(35)33-14-11-20(12-15-33)17-30-29(39)34-13-5-7-22(18-34)27(36)37/h3-4,6,8-10,16,20,22H,5,7,11-15,17-18H2,1-2H3,(H,30,39)(H,36,37)(H2,31,32,38)