tert-butyl 3-[(1-methoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[(1-methoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-benzyloxy-3-[[1-(hydroxymethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)amino]-oxomethyl]-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)carbamoyl]-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-benzoxy-3-[(2-keto-2-methoxy-1-methylol-ethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C26H32N2O7 MolecularWeight: 484.54148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)NC(CO)C(=O)OC)C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)NC(CO)C(=O)OC)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O7/c1-26(2,3)35-25(32)28-14-19-12-20(34-16-17-8-6-5-7-9-17)11-10-18(19)13-22(28)23(30)27-21(15-29)24(31)33-4/h5-12,21-22,29H,13-16H2,1-4H3,(H,27,30)