(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(3,3-dimethylbutanoylamino)-3-phenyl-propanoate

Systemtic Name: (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(3,3-dimethylbutanoylamino)-3-phenyl-propanoate Openeye Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(3,3-dimethylbutanoylamino)-3-phenyl-propanoate CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-3-phenylpropanoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(3,3-dimethylbutanoylamino)-3-phenylpropanoate Traditional Name: 2-(3,3-dimethylbutanoylamino)-3-phenyl-propionic acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3

Isomeric SMILES

CC(C)(C)CC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3

InChI

InChI=1S/C27H29NO5/c1-27(2,3)16-24(29)28-22(14-17-8-5-4-6-9-17)26(31)32-18-12-13-20-19-10-7-11-21(19)25(30)33-23(20)15-18/h4-6,8-9,12-13,15,22H,7,10-11,14,16H2,1-3H3,(H,28,29)