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

Systemtic Name: 1-(2-ethoxy-3-methoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-(2-ethoxy-3-methoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-(2-ethoxy-3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-(2-ethoxy-3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-(2-ethoxy-3-methoxy-phenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=C1OC)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=C(C=CC=C1OC)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22N2O4/c1-3-27-20-13(8-6-10-17(20)26-2)18-19-14(11-16(23-18)21(24)25)12-7-4-5-9-15(12)22-19/h4-10,16,18,22-23H,3,11H2,1-2H3,(H,24,25)