9-[2-[(1-methoxy-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-methoxy-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-methoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: 9-[2-[(1-methoxy-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-methoxy-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-carbomethoxy-3-phenyl-propyl)amino]propanoyl]-1,2,3,4-tetrahydro-$b-carboline-3-carboxylic acid Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=C(CC(NC2)C(=O)O)C3=CC=CC=C31)NC(CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C(=O)N1C2=C(CC(NC2)C(=O)O)C3=CC=CC=C31)NC(CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H29N3O5/c1-16(28-20(26(33)34-2)13-12-17-8-4-3-5-9-17)24(30)29-22-11-7-6-10-18(22)19-14-21(25(31)32)27-15-23(19)29/h3-11,16,20-21,27-28H,12-15H2,1-2H3,(H,31,32)