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

Systemtic Name: 1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]carbonylpyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[[1-[3-methoxy-4-(o-tolylcarbamoylamino)benzoyl]pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[[[1-[[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-oxomethyl]-3-pyrrolidinyl]amino]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]benzoyl]pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[[1-[3-methoxy-4-(o-tolylcarbamoylamino)benzoyl]pyrrolidin-3-yl]carbamoyl]nipecotic acid Formula: C27H33N5O6 MolecularWeight: 523.58082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)C(=O)N3CCC(C3)NC(=O)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)C(=O)N3CCC(C3)NC(=O)N4CCCC(C4)C(=O)O)OC

InChI

InChI=1S/C27H33N5O6/c1-17-6-3-4-8-21(17)29-26(36)30-22-10-9-18(14-23(22)38-2)24(33)31-13-11-20(16-31)28-27(37)32-12-5-7-19(15-32)25(34)35/h3-4,6,8-10,14,19-20H,5,7,11-13,15-16H2,1-2H3,(H,28,37)(H,34,35)(H2,29,30,36)