4-ethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-ethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-benzyloxy-4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-ethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-ethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-benzoxy-4-ethyl-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:

CCC1C(NCC2=C1C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC1C(NCC2=C1C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-2-15-19-16-10-14(26-12-13-6-4-3-5-7-13)8-9-17(16)23-18(19)11-22-20(15)21(24)25/h3-10,15,20,22-23H,2,11-12H2,1H3,(H,24,25)