1-(3-azanylpropanoyl)-2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 1-(3-azanylpropanoyl)-2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 1-(3-aminopropanoyl)-2-(1-ethoxycarbonyl-3-phenyl-propyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 1-(3-amino-1-oxopropyl)-2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 1-(3-aminopropanoyl)-2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 1-(3-aminopropanoyl)-2-(1-carbethoxy-3-phenyl-propyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)N2C(CC3=CC(=C(C=C3C2C(=O)CCN)OC)OC)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N2C(CC3=CC(=C(C=C3C2C(=O)CCN)OC)OC)C(=O)O

InChI

InChI=1S/C27H34N2O7/c1-4-36-27(33)20(11-10-17-8-6-5-7-9-17)29-21(26(31)32)14-18-15-23(34-2)24(35-3)16-19(18)25(29)22(30)12-13-28/h5-9,15-16,20-21,25H,4,10-14,28H2,1-3H3,(H,31,32)