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

Systemtic Name: 3-ethoxycarbonyl-4-(methoxymethyl)-6-octoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid Openeye Name: 3-ethoxycarbonyl-4-(methoxymethyl)-6-octoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid CAS Name: 3-ethoxycarbonyl-4-(methoxymethyl)-6-octoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid IUPAC Name: 3-ethoxycarbonyl-4-(methoxymethyl)-6-octoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid Traditional Name: 3-carbethoxy-4-(methoxymethyl)-6-octoxy-2,3,4,9-tetrahydro-1H-$b-carboline-1-carboxylic acid Formula: C25H36N2O6 MolecularWeight: 460.56314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)NC3=C2C(C(NC3C(=O)O)C(=O)OCC)COC

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)NC3=C2C(C(NC3C(=O)O)C(=O)OCC)COC

InChI

InChI=1S/C25H36N2O6/c1-4-6-7-8-9-10-13-33-16-11-12-19-17(14-16)20-18(15-31-3)21(25(30)32-5-2)27-23(24(28)29)22(20)26-19/h11-12,14,18,21,23,26-27H,4-10,13,15H2,1-3H3,(H,28,29)