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

Systemtic Name: 1-(3-azanylpropanoyl)-2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 1-(3-aminopropanoyl)-2-(1-ethoxycarbonyl-3-phenyl-propyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 1-(3-amino-1-oxopropyl)-2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 1-(3-aminopropanoyl)-2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 1-(3-aminopropanoyl)-2-(1-carbethoxy-3-phenyl-propyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5/c1-2-32-25(31)20(13-12-17-8-4-3-5-9-17)27-21(24(29)30)16-18-10-6-7-11-19(18)23(27)22(28)14-15-26/h3-11,20-21,23H,2,12-16,26H2,1H3,(H,29,30)