[(1R)-1-azanyl-2-phenyl-ethyl] 9-butyl-3-methanoyl-4aH-pyrido[3,4-b]indole-2-carboxylate

Systemtic Name: [(1R)-1-azanyl-2-phenyl-ethyl] 9-butyl-3-methanoyl-4aH-pyrido[3,4-b]indole-2-carboxylate Openeye Name: [(1R)-1-amino-2-phenyl-ethyl] 9-butyl-3-formyl-4aH-pyrido[3,4-b]indole-2-carboxylate CAS Name: 9-butyl-3-formyl-4aH-pyrido[3,4-b]indole-2-carboxylic acid [(1R)-1-amino-2-phenylethyl] ester IUPAC Name: [(1R)-1-amino-2-phenylethyl] 9-butyl-3-formyl-4aH-pyrido[3,4-b]indole-2-carboxylate Traditional Name: 9-butyl-3-formyl-4aH-$b-carboline-2-carboxylic acid [(1R)-1-amino-2-phenyl-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3C1=CN(C(=C3)C=O)C(=O)OC(CC4=CC=CC=C4)N

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3C1=CN(C(=C3)C=O)C(=O)O[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C25H27N3O3/c1-2-3-13-27-22-12-8-7-11-20(22)21-15-19(17-29)28(16-23(21)27)25(30)31-24(26)14-18-9-5-4-6-10-18/h4-12,15-17,21,24H,2-3,13-14,26H2,1H3/t21?,24-/m1/s1