1-(2-ethyl-4-methoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 1-(2-ethyl-4-methoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-(2-ethyl-4-methoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-(2-ethyl-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-(2-ethyl-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-(2-ethyl-4-methoxy-phenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OC)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3

Isomeric SMILES

CCC1=C(C=CC(=C1)OC)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22N2O3/c1-3-12-10-13(26-2)8-9-14(12)19-20-16(11-18(23-19)21(24)25)15-6-4-5-7-17(15)22-20/h4-10,18-19,22-23H,3,11H2,1-2H3,(H,24,25)