5-[(1-phenylethylamino)methyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 5-[(1-phenylethylamino)methyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-[(1-phenylethylamino)methyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 5-[(1-phenylethylamino)methyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 5-[(1-phenylethylamino)methyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-[(1-phenylethylamino)methyl]-9H-$b-carboline-3-carboxylic acid Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC2=C3C(=CC=C2)NC4=CN=C(C=C43)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NCC2=C3C(=CC=C2)NC4=CN=C(C=C43)C(=O)O

InChI

InChI=1S/C21H19N3O2/c1-13(14-6-3-2-4-7-14)22-11-15-8-5-9-17-20(15)16-10-18(21(25)26)23-12-19(16)24-17/h2-10,12-13,22,24H,11H2,1H3,(H,25,26)