(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl) 4-(3-phenylpropanoylamino)butanoate

Systemtic Name: (4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl) 4-(3-phenylpropanoylamino)butanoate Openeye Name: (4-methyl-6-oxo-benzo[c]chromen-3-yl) 4-(3-phenylpropanoylamino)butanoate CAS Name: 4-[(1-oxo-3-phenylpropyl)amino]butanoic acid (4-methyl-6-oxo-3-benzo[c][1]benzopyranyl) ester IUPAC Name: (4-methyl-6-oxobenzo[c]chromen-3-yl) 4-(3-phenylpropanoylamino)butanoate Traditional Name: 4-(hydrocinnamoylamino)butyric acid (6-keto-4-methyl-benzo[c]chromen-3-yl) ester Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OC(=O)CCCNC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OC(=O)CCCNC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H25NO5/c1-18-23(15-14-21-20-10-5-6-11-22(20)27(31)33-26(18)21)32-25(30)12-7-17-28-24(29)16-13-19-8-3-2-4-9-19/h2-6,8-11,14-15H,7,12-13,16-17H2,1H3,(H,28,29)