[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 2-(benzyloxycarbonylamino)butanoate CAS Name: 2-(phenylmethoxycarbonylamino)butanoic acid [4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl] ester IUPAC Name: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)butyric acid (3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C30H29NO6 MolecularWeight: 499.55436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=CC(=CC2=C1C(=C(C(=O)O2)CC3=CC=CC=C3)C)C)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)OC1=CC(=CC2=C1C(=C(C(=O)O2)CC3=CC=CC=C3)C)C)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H29NO6/c1-4-24(31-30(34)35-18-22-13-9-6-10-14-22)29(33)37-26-16-19(2)15-25-27(26)20(3)23(28(32)36-25)17-21-11-7-5-8-12-21/h5-16,24H,4,17-18H2,1-3H3,(H,31,34)