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

Systemtic Name: 1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]carbonylpiperidin-4-yl]carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[[1-[3-methoxy-4-(o-tolylcarbamoylamino)benzoyl]-4-piperidyl]carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[[[1-[[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-oxomethyl]-4-piperidinyl]amino]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]benzoyl]piperidin-4-yl]carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[[1-[3-methoxy-4-(o-tolylcarbamoylamino)benzoyl]-4-piperidyl]carbamoyl]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(CC3)NC(=O)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)C(=O)N3CCC(CC3)NC(=O)N4CCC(CC4)C(=O)O)OC

InChI

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