methyl 5-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methoxy-benzoate Openeye Name: methyl 5-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methoxy-benzoate CAS Name: 5-[[[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methoxybenzoate Traditional Name: 5-[[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methoxy-benzoic acid methyl ester Formula: C31H40N4O6 MolecularWeight: 564.6725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC(=C(C=C3)OC)C(=O)OC)C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC(=C(C=C3)OC)C(=O)OC)C4CCCCC4

InChI

InChI=1S/C31H40N4O6/c1-31(2,3)27(36)19-35-25-14-10-9-13-24(25)34(21-11-7-6-8-12-21)18-23(28(35)37)33-30(39)32-20-15-16-26(40-4)22(17-20)29(38)41-5/h9-10,13-17,21,23H,6-8,11-12,18-19H2,1-5H3,(H2,32,33,39)