(2S)-2-(2-cyclopentylethanoylamino)-N-(1,1-dimethyl-3-oxidanylidene-4H-isochromen-4-yl)propanamide

Systemtic Name: (2S)-2-(2-cyclopentylethanoylamino)-N-(1,1-dimethyl-3-oxidanylidene-4H-isochromen-4-yl)propanamide Openeye Name: (2S)-2-[(2-cyclopentylacetyl)amino]-N-(1,1-dimethyl-3-oxo-isochroman-4-yl)propanamide CAS Name: (2S)-2-[(2-cyclopentyl-1-oxoethyl)amino]-N-(1,1-dimethyl-3-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)propanamide IUPAC Name: (2S)-2-[(2-cyclopentylacetyl)amino]-N-(1,1-dimethyl-3-oxo-4H-isochromen-4-yl)propanamide Traditional Name: (2S)-2-[(2-cyclopentylacetyl)amino]-N-(3-keto-1,1-dimethyl-isochroman-4-yl)propionamide Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C2=CC=CC=C2C(OC1=O)(C)C)NC(=O)CC3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1C2=CC=CC=C2C(OC1=O)(C)C)NC(=O)CC3CCCC3

InChI

InChI=1S/C21H28N2O4/c1-13(22-17(24)12-14-8-4-5-9-14)19(25)23-18-15-10-6-7-11-16(15)21(2,3)27-20(18)26/h6-7,10-11,13-14,18H,4-5,8-9,12H2,1-3H3,(H,22,24)(H,23,25)/t13-,18?/m0/s1