[1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H29N3O6/c1-16(25(31)30-27(33)28-18-8-4-5-9-18)36-26(32)20-15-22(29-21-11-7-6-10-19(20)21)17-12-13-23(34-2)24(14-17)35-3/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H2,28,30,31,33)