9-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 9-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 9-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: 9-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 9-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 9-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-1,2,3,4-tetrahydro-$b-carboline-3-carboxylic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3=C(CC(NC3)C(=O)O)C4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3=C(CC(NC3)C(=O)O)C4=CC=CC=C42

InChI

InChI=1S/C27H31N3O5/c1-3-35-27(34)21(14-13-18-9-5-4-6-10-18)29-17(2)25(31)30-23-12-8-7-11-19(23)20-15-22(26(32)33)28-16-24(20)30/h4-12,17,21-22,28-29H,3,13-16H2,1-2H3,(H,32,33)