tert-butyl 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: tert-butyl 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: tert-butyl 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid tert-butyl ester Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)OC(C)(C)C

InChI

InChI=1S/C29H38N2O5/c1-6-35-27(33)24(17-16-21-12-8-7-9-13-21)30-20(2)26(32)31-19-23-15-11-10-14-22(23)18-25(31)28(34)36-29(3,4)5/h7-15,20,24-25,30H,6,16-19H2,1-5H3