methyl 3-[[5-(3-methylbutyl)-1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl]carbamoyloxy]benzoate

Systemtic Name: methyl 3-[[5-(3-methylbutyl)-1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl]carbamoyloxy]benzoate Openeye Name: methyl 3-[(5-isopentyl-1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)carbamoyloxy]benzoate CAS Name: 3-[[[5-(3-methylbutyl)-1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl]amino]-oxomethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(3-methylbutyl)-1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl]carbamoyloxy]benzoate Traditional Name: 3-[(5-isoamyl-1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)carbamoyloxy]benzoic acid methyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(CCN(C2=CC=CC=C21)C3=CC=CC=C3)NC(=O)OC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(CCN(C2=CC=CC=C21)C3=CC=CC=C3)NC(=O)OC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C29H33N3O4/c1-21(2)16-18-32-26-15-8-7-14-25(26)31(23-11-5-4-6-12-23)19-17-27(32)30-29(34)36-24-13-9-10-22(20-24)28(33)35-3/h4-15,20-21,27H,16-19H2,1-3H3,(H,30,34)