(phenylmethyl) 1-[(2-azanyl-2-methyl-propyl)carbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[(2-azanyl-2-methyl-propyl)carbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 1-[(2-amino-2-methyl-propyl)carbamoyl]-6-benzyloxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[(2-amino-2-methylpropyl)amino]-oxomethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(2-amino-2-methylpropyl)carbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[(2-amino-2-methyl-propyl)carbamoyl]-6-benzoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1C2=C(CCN1C(=O)OCC3=CC=CC=C3)C=C(C=C2)OCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)(CNC(=O)C1C2=C(CCN1C(=O)OCC3=CC=CC=C3)C=C(C=C2)OCC4=CC=CC=C4)N

InChI

InChI=1S/C29H33N3O4/c1-29(2,30)20-31-27(33)26-25-14-13-24(35-18-21-9-5-3-6-10-21)17-23(25)15-16-32(26)28(34)36-19-22-11-7-4-8-12-22/h3-14,17,26H,15-16,18-20,30H2,1-2H3,(H,31,33)