1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-6-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid

Systemtic Name: 1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-6-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid Openeye Name: 1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid CAS Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid IUPAC Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid Traditional Name: 1-(3-hydroxy-4-methoxy-benzyl)-6-methyl-2,3,4,9-tetrahydro-$b-carboline-1-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2CCNC3(CC4=CC(=C(C=C4)OC)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2CCNC3(CC4=CC(=C(C=C4)OC)O)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-12-3-5-16-15(9-12)14-7-8-22-21(20(25)26,19(14)23-16)11-13-4-6-18(27-2)17(24)10-13/h3-6,9-10,22-24H,7-8,11H2,1-2H3,(H,25,26)