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

Systemtic Name: 1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]carbonylpyrrolidin-3-yl]methylcarbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[[1-[3-methoxy-4-(o-tolylcarbamoylamino)benzoyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[[[1-[[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-oxomethyl]-3-pyrrolidinyl]methylamino]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]benzoyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[[1-[3-methoxy-4-(o-tolylcarbamoylamino)benzoyl]pyrrolidin-3-yl]methylcarbamoyl]isonipecotic acid Formula: C28H35N5O6 MolecularWeight: 537.6074

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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)CNC(=O)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)C(=O)N3CCC(C3)CNC(=O)N4CCC(CC4)C(=O)O)OC

InChI

InChI=1S/C28H35N5O6/c1-18-5-3-4-6-22(18)30-27(37)31-23-8-7-21(15-24(23)39-2)25(34)33-12-9-19(17-33)16-29-28(38)32-13-10-20(11-14-32)26(35)36/h3-8,15,19-20H,9-14,16-17H2,1-2H3,(H,29,38)(H,35,36)(H2,30,31,37)