1-(2-azanylpropanoyl)-1-ethoxycarbonyl-6,7-dimethoxy-2-(3-phenylpropyl)-3,4-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-azanylpropanoyl)-1-ethoxycarbonyl-6,7-dimethoxy-2-(3-phenylpropyl)-3,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 1-(2-aminopropanoyl)-1-ethoxycarbonyl-6,7-dimethoxy-2-(3-phenylpropyl)-3,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 1-(2-amino-1-oxopropyl)-1-ethoxycarbonyl-6,7-dimethoxy-2-(3-phenylpropyl)-3,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 1-(2-aminopropanoyl)-1-ethoxycarbonyl-6,7-dimethoxy-2-(3-phenylpropyl)-3,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 1-alanyl-1-carbethoxy-6,7-dimethoxy-2-(3-phenylpropyl)-3,4-dihydroisoquinoline-3-carboxylic acid Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC(=C(C=C2CC(N1CCCC3=CC=CC=C3)C(=O)O)OC)OC)C(=O)C(C)N

Isomeric SMILES

CCOC(=O)C1(C2=CC(=C(C=C2CC(N1CCCC3=CC=CC=C3)C(=O)O)OC)OC)C(=O)C(C)N

InChI

InChI=1S/C27H34N2O7/c1-5-36-26(33)27(24(30)17(2)28)20-16-23(35-4)22(34-3)15-19(20)14-21(25(31)32)29(27)13-9-12-18-10-7-6-8-11-18/h6-8,10-11,15-17,21H,5,9,12-14,28H2,1-4H3,(H,31,32)