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

Systemtic Name: 1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]carbonylazepan-3-yl]carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[[1-[3-methoxy-4-(o-tolylcarbamoylamino)benzoyl]azepan-3-yl]carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[[[1-[[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-oxomethyl]-3-azepanyl]amino]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]benzoyl]azepan-3-yl]carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[[1-[3-methoxy-4-(o-tolylcarbamoylamino)benzoyl]azepan-3-yl]carbamoyl]nipecotic acid Formula: C29H37N5O6 MolecularWeight: 551.63398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)C(=O)N3CCCCC(C3)NC(=O)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)C(=O)N3CCCCC(C3)NC(=O)N4CCCC(C4)C(=O)O)OC

InChI

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