1-aminocarbonyl-3-[2-[di(propan-2-yl)amino]ethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 1-aminocarbonyl-3-[2-[di(propan-2-yl)amino]ethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-benzyloxy-1-carbamoyl-3-[2-(diisopropylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 1-carbamoyl-3-[2-[di(propan-2-yl)amino]ethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-carbamoyl-3-[2-[di(propan-2-yl)amino]ethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-benzoxy-1-carbamoyl-3-[2-(diisopropylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)C(N1C(=O)O)C(=O)N)C(C)C

Isomeric SMILES

CC(C)N(CCC1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)C(N1C(=O)O)C(=O)N)C(C)C

InChI

InChI=1S/C26H35N3O4/c1-17(2)28(18(3)4)13-12-21-14-20-15-22(33-16-19-8-6-5-7-9-19)10-11-23(20)24(25(27)30)29(21)26(31)32/h5-11,15,17-18,21,24H,12-14,16H2,1-4H3,(H2,27,30)(H,31,32)