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

Systemtic Name: ethyl 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)C(C)NC(CCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)C(C)NC(CCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C27H34N2O5/c1-4-33-26(31)23(16-15-20-11-7-6-8-12-20)28-19(3)25(30)29-18-22-14-10-9-13-21(22)17-24(29)27(32)34-5-2/h6-14,19,23-24,28H,4-5,15-18H2,1-3H3