2-azanyl-1-ethoxycarbonyl-6,7-dimethoxy-3-(3-phenylpropyl)-1-propanoyl-4H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-1-ethoxycarbonyl-6,7-dimethoxy-3-(3-phenylpropyl)-1-propanoyl-4H-isoquinoline-3-carboxylic acid Openeye Name: 2-amino-1-ethoxycarbonyl-6,7-dimethoxy-3-(3-phenylpropyl)-1-propanoyl-4H-isoquinoline-3-carboxylic acid CAS Name: 2-amino-1-ethoxycarbonyl-6,7-dimethoxy-1-(1-oxopropyl)-3-(3-phenylpropyl)-4H-isoquinoline-3-carboxylic acid IUPAC Name: 2-amino-1-ethoxycarbonyl-6,7-dimethoxy-3-(3-phenylpropyl)-1-propanoyl-4H-isoquinoline-3-carboxylic acid Traditional Name: 2-amino-1-carbethoxy-6,7-dimethoxy-3-(3-phenylpropyl)-1-propionyl-4H-isoquinoline-3-carboxylic acid Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C2=CC(=C(C=C2CC(N1N)(CCCC3=CC=CC=C3)C(=O)O)OC)OC)C(=O)OCC

Isomeric SMILES

CCC(=O)C1(C2=CC(=C(C=C2CC(N1N)(CCCC3=CC=CC=C3)C(=O)O)OC)OC)C(=O)OCC

InChI

InChI=1S/C27H34N2O7/c1-5-23(30)27(25(33)36-6-2)20-16-22(35-4)21(34-3)15-19(20)17-26(24(31)32,29(27)28)14-10-13-18-11-8-7-9-12-18/h7-9,11-12,15-16H,5-6,10,13-14,17,28H2,1-4H3,(H,31,32)