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

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-methyl-amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)-methyl-amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-methylamino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-methylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)-methyl-amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)N(C)C(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N(C)C(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C26H32N2O5/c1-4-33-26(32)22(15-14-19-10-6-5-7-11-19)27(3)18(2)24(29)28-17-21-13-9-8-12-20(21)16-23(28)25(30)31/h5-13,18,22-23H,4,14-17H2,1-3H3,(H,30,31)