4-(methoxymethyl)-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid

Systemtic Name: 4-(methoxymethyl)-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid Openeye Name: 5-benzyloxy-4-(methoxymethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid CAS Name: 4-(methoxymethyl)-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid IUPAC Name: 4-(methoxymethyl)-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid Traditional Name: 5-benzoxy-4-(methoxymethyl)-2,3,4,9-tetrahydro-1H-$b-carboline-1-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CNC(C2=C1C3=C(N2)C=CC=C3OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COCC1CNC(C2=C1C3=C(N2)C=CC=C3OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-26-12-14-10-22-20(21(24)25)19-17(14)18-15(23-19)8-5-9-16(18)27-11-13-6-3-2-4-7-13/h2-9,14,20,22-23H,10-12H2,1H3,(H,24,25)