2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-(8-tert-butoxycarbonyl-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-[8-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-(8-tert-butoxycarbonyl-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate Formula: C24H29N2O4- MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(CN(CC(N2)CC(=O)[O-])CCC3=CC=CC=C3)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(CN(CC(N2)CC(=O)[O-])CCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C24H30N2O4/c1-24(2,3)30-23(29)18-9-10-19-15-26(12-11-17-7-5-4-6-8-17)16-20(14-22(27)28)25-21(19)13-18/h4-10,13,20,25H,11-12,14-16H2,1-3H3,(H,27,28)/p-1