[4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl] N-tert-butyl-N-methyl-carbamate

Systemtic Name: [4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl] N-tert-butyl-N-methyl-carbamate Openeye Name: [6-benzyloxy-4-butoxy-2-(cyclopropylmethyl)-1-oxo-3-isoquinolyl] N-tert-butyl-N-methyl-carbamate CAS Name: N-tert-butyl-N-methylcarbamic acid [4-butoxy-2-(cyclopropylmethyl)-1-oxo-6-phenylmethoxy-3-isoquinolinyl] ester IUPAC Name: [4-butoxy-2-(cyclopropylmethyl)-1-oxo-6-phenylmethoxyisoquinolin-3-yl] N-tert-butyl-N-methylcarbamate Traditional Name: N-tert-butyl-N-methyl-carbamic acid [6-benzoxy-4-butoxy-2-(cyclopropylmethyl)-1-keto-3-isoquinolyl] ester Formula: C30H38N2O5 MolecularWeight: 506.63312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4CC4)OC(=O)N(C)C(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4CC4)OC(=O)N(C)C(C)(C)C

InChI

InChI=1S/C30H38N2O5/c1-6-7-17-35-26-25-18-23(36-20-22-11-9-8-10-12-22)15-16-24(25)27(33)32(19-21-13-14-21)28(26)37-29(34)31(5)30(2,3)4/h8-12,15-16,18,21H,6-7,13-14,17,19-20H2,1-5H3