[5-methoxy-1,2-dimethyl-4,7-bis(oxidanylidene)indol-3-yl]methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [5-methoxy-1,2-dimethyl-4,7-bis(oxidanylidene)indol-3-yl]methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (5-methoxy-1,2-dimethyl-4,7-dioxo-indol-3-yl)methyl 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (5-methoxy-1,2-dimethyl-4,7-dioxo-3-indolyl)methyl ester IUPAC Name: (5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (4,7-diketo-5-methoxy-1,2-dimethyl-indol-3-yl)methyl ester Formula: C25H28N2O7 MolecularWeight: 468.49902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)COC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)COC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O7/c1-14(2)21(26-25(31)34-12-16-9-7-6-8-10-16)24(30)33-13-17-15(3)27(4)22-18(28)11-19(32-5)23(29)20(17)22/h6-11,14,21H,12-13H2,1-5H3,(H,26,31)