diethyl 2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-2-[[4-oxidanylidene-4-(phenylmethoxyamino)butanoyl]amino]propanedioate

Systemtic Name: diethyl 2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-2-[[4-oxidanylidene-4-(phenylmethoxyamino)butanoyl]amino]propanedioate Openeye Name: diethyl 2-[[4-(benzyloxyamino)-4-oxo-butanoyl]amino]-2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]propanedioate CAS Name: 2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-2-[[1,4-dioxo-4-(phenylmethoxyamino)butyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-2-[[4-oxo-4-(phenylmethoxyamino)butanoyl]amino]propanedioate Traditional Name: 2-[[4-(benzoxyamino)-4-keto-butanoyl]amino]-2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]malonic acid diethyl ester Formula: C31H40N4O7 MolecularWeight: 580.6719

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(NC2=CC=CC=C21)CCN(C)C)(C(=O)OCC)NC(=O)CCC(=O)NOCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=C(NC2=CC=CC=C21)CCN(C)C)(C(=O)OCC)NC(=O)CCC(=O)NOCC3=CC=CC=C3

InChI

InChI=1S/C31H40N4O7/c1-5-40-29(38)31(30(39)41-6-2,20-24-23-14-10-11-15-25(23)32-26(24)18-19-35(3)4)33-27(36)16-17-28(37)34-42-21-22-12-8-7-9-13-22/h7-15,32H,5-6,16-21H2,1-4H3,(H,33,36)(H,34,37)