ethyl (2S)-2-[(9-butyl-1-methyl-pyrido[3,4-b]indol-3-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[(9-butyl-1-methyl-pyrido[3,4-b]indol-3-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(9-butyl-1-methyl-pyrido[3,4-b]indole-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(9-butyl-1-methyl-3-pyrido[3,4-b]indolyl)-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(9-butyl-1-methylpyrido[3,4-b]indole-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(9-butyl-1-methyl-$b-carboline-3-carbonyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=CC(=NC(=C31)C)C(=O)NC(CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=CC(=NC(=C31)C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H31N3O3/c1-4-6-16-31-25-15-11-10-14-21(25)22-18-23(29-19(3)26(22)31)27(32)30-24(28(33)34-5-2)17-20-12-8-7-9-13-20/h7-15,18,24H,4-6,16-17H2,1-3H3,(H,30,32)/t24-/m0/s1