4-azanyl-2-methyl-9-(phenylmethyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-3-carboxylic acid

Systemtic Name: 4-azanyl-2-methyl-9-(phenylmethyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-3-carboxylic acid Openeye Name: 4-amino-9-benzyl-2-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-3-carboxylic acid CAS Name: 4-amino-2-methyl-9-(phenylmethyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-3-carboxylic acid IUPAC Name: 4-amino-9-benzyl-2-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-3-carboxylic acid Traditional Name: 4-amino-9-benzyl-2-methyl-5,6,7,8-tetrahydropyrid[2,3-b]indole-3-carboxylic acid Formula: C20H21N3O2 MolecularWeight: 335.39964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C3=C(CCCC3)N(C2=N1)CC4=CC=CC=C4)N)C(=O)O

Isomeric SMILES

CC1=C(C(=C2C3=C(CCCC3)N(C2=N1)CC4=CC=CC=C4)N)C(=O)O

InChI

InChI=1S/C20H21N3O2/c1-12-16(20(24)25)18(21)17-14-9-5-6-10-15(14)23(19(17)22-12)11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H2,21,22)(H,24,25)