1-[[2-(4-chlorophenyl)ethyl-methoxycarbonyl-amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 1-[[2-(4-chlorophenyl)ethyl-methoxycarbonyl-amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-[[2-(4-chlorophenyl)ethyl-methoxycarbonyl-amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 1-[[2-(4-chlorophenyl)ethyl-methoxycarbonylamino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-[[2-(4-chlorophenyl)ethyl-methoxycarbonylamino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-[[carbomethoxy-[2-(4-chlorophenyl)ethyl]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CCC1=CC=C(C=C1)Cl)CC2C3=CC=CC=C3CCN2C(=O)O

Isomeric SMILES

COC(=O)N(CCC1=CC=C(C=C1)Cl)CC2C3=CC=CC=C3CCN2C(=O)O

InChI

InChI=1S/C21H23ClN2O4/c1-28-21(27)23(12-10-15-6-8-17(22)9-7-15)14-19-18-5-3-2-4-16(18)11-13-24(19)20(25)26/h2-9,19H,10-14H2,1H3,(H,25,26)