2-[3,4-dihydro-1H-isoquinolin-2-yl-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]amino]ethanoic acid

Systemtic Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]amino]ethanoic acid Openeye Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]amino]acetic acid CAS Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]amino]acetic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl-(3,4-dihydro-1H-isoquinolin-2-yl)amino]acetic acid Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C26H33N3O5/c1-3-34-26(33)23(14-13-20-9-5-4-6-10-20)27-19(2)25(32)29(18-24(30)31)28-16-15-21-11-7-8-12-22(21)17-28/h4-12,19,23,27H,3,13-18H2,1-2H3,(H,30,31)