methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)propanoate

Systemtic Name: methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)propanoate Openeye Name: methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)propanoate CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-3-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)propanoate Traditional Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)propionic acid methyl ester Formula: C32H39N3O4 MolecularWeight: 529.66976

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CN=C(C2=CC=CC=C2N1C)C3=CC=CC=C3)(C(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(CC1CN=C(C2=CC=CC=C2N1C)C3=CC=CC=C3)(C(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C32H39N3O4/c1-32(30(36)38-3,34-31(37)39-29-23-14-20-13-21(16-23)17-24(29)15-20)18-25-19-33-28(22-9-5-4-6-10-22)26-11-7-8-12-27(26)35(25)2/h4-12,20-21,23-25,29H,13-19H2,1-3H3,(H,34,37)