3-ethoxycarbonyl-4-(methoxymethyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid

Systemtic Name: 3-ethoxycarbonyl-4-(methoxymethyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid Openeye Name: 6-benzyloxy-3-ethoxycarbonyl-4-(methoxymethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid CAS Name: 3-ethoxycarbonyl-4-(methoxymethyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid IUPAC Name: 3-ethoxycarbonyl-4-(methoxymethyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid Traditional Name: 6-benzoxy-3-carbethoxy-4-(methoxymethyl)-2,3,4,9-tetrahydro-1H-$b-carboline-1-carboxylic acid Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(C(N1)C(=O)O)NC3=C2C=C(C=C3)OCC4=CC=CC=C4)COC

Isomeric SMILES

CCOC(=O)C1C(C2=C(C(N1)C(=O)O)NC3=C2C=C(C=C3)OCC4=CC=CC=C4)COC

InChI

InChI=1S/C24H26N2O6/c1-3-31-24(29)20-17(13-30-2)19-16-11-15(32-12-14-7-5-4-6-8-14)9-10-18(16)25-21(19)22(26-20)23(27)28/h4-11,17,20,22,25-26H,3,12-13H2,1-2H3,(H,27,28)