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

Systemtic Name: tert-butyl 1-[(2-azanyl-2-methyl-propyl)carbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4/c1-25(2,3)33-24(31)29-14-13-19-15-20(32-16-18-9-7-6-8-10-18)11-12-21(19)22(29)23(30)28-17-26(4,5)27/h6-12,15,22H,13-14,16-17,27H2,1-5H3,(H,28,30)