tert-butyl 1-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[(3-amino-2,2-dimethyl-propyl)carbamoyl]-6-benzyloxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[(3-amino-2,2-dimethylpropyl)amino]-oxomethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(3-amino-2,2-dimethylpropyl)carbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[(3-amino-2,2-dimethyl-propyl)carbamoyl]-6-benzoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)NCC(C)(C)CN)C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)NCC(C)(C)CN)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H37N3O4/c1-26(2,3)34-25(32)30-14-13-20-15-21(33-16-19-9-7-6-8-10-19)11-12-22(20)23(30)24(31)29-18-27(4,5)17-28/h6-12,15,23H,13-14,16-18,28H2,1-5H3,(H,29,31)