2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,3-dihydroisoindole-1-carboxylic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,3-dihydroisoindole-1-carboxylic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]isoindoline-1-carboxylic acid CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1,3-dihydroisoindole-1-carboxylic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1,3-dihydroisoindole-1-carboxylic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]isoindoline-1-carboxylic acid Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3C2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3C2C(=O)O

InChI

InChI=1S/C24H28N2O5/c1-3-31-24(30)20(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-15-18-11-7-8-12-19(18)21(26)23(28)29/h4-12,16,20-21,25H,3,13-15H2,1-2H3,(H,28,29)