cyclohexylmethyl 1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Systemtic Name: cyclohexylmethyl 1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Openeye Name: cyclohexylmethyl 1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate CAS Name: 1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid cyclohexylmethyl ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)N2CCC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36

Isomeric SMILES

C1CCC(CC1)COC(=O)N2CCC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36

InChI

InChI=1S/C26H28N2O4/c29-26(30-15-17-6-2-1-3-7-17)28-13-12-20-19-8-4-5-9-21(19)27-24(20)25(28)18-10-11-22-23(14-18)32-16-31-22/h4-5,8-11,14,17,25,27H,1-3,6-7,12-13,15-16H2