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

Systemtic Name: 1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]carbonyl-3-methyl-azetidin-3-yl]carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[[1-[3-methoxy-4-(o-tolylcarbamoylamino)benzoyl]-3-methyl-azetidin-3-yl]carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[[[1-[[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-oxomethyl]-3-methyl-3-azetidinyl]amino]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[1-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]benzoyl]-3-methylazetidin-3-yl]carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[[1-[3-methoxy-4-(o-tolylcarbamoylamino)benzoyl]-3-methyl-azetidin-3-yl]carbamoyl]isonipecotic 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)N3CC(C3)(C)NC(=O)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)C(=O)N3CC(C3)(C)NC(=O)N4CCC(CC4)C(=O)O)OC

InChI

InChI=1S/C27H33N5O6/c1-17-6-4-5-7-20(17)28-25(36)29-21-9-8-19(14-22(21)38-3)23(33)32-15-27(2,16-32)30-26(37)31-12-10-18(11-13-31)24(34)35/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,30,37)(H,34,35)(H2,28,29,36)