[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] (3R)-6-chlorochromane-3-carboxylate CAS Name: (3R)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3R)-6-chlorochroman-3-carboxylic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)[C@@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C20H22ClN3O4/c21-15-5-6-17-13(10-15)9-14(11-27-17)20(26)28-12-19(25)23-18-7-8-22-24(18)16-3-1-2-4-16/h5-8,10,14,16H,1-4,9,11-12H2,(H,23,25)/t14-/m1/s1