methyl (1R,3R)-1-[3-[(2-ethoxycarbonylphenyl)methoxymethyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: methyl (1R,3R)-1-[3-[(2-ethoxycarbonylphenyl)methoxymethyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: methyl (1R,3R)-1-[3-[(2-ethoxycarbonylphenyl)methoxymethyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1R,3R)-1-[3-[(2-ethoxycarbonylphenyl)methoxymethyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3R)-1-[3-[(2-ethoxycarbonylphenyl)methoxymethyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1R,3R)-1-[3-[(2-carbethoxybenzyl)oxymethyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid methyl ester Formula: C31H33N2O6+ MolecularWeight: 529.60352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1COCC2=C(C=CC(=C2)C3C4=C(CC([NH2+]3)C(=O)OC)C5=CC=CC=C5N4)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1COCC2=C(C=CC(=C2)[C@@H]3C4=C(C[C@@H]([NH2+]3)C(=O)OC)C5=CC=CC=C5N4)OC

InChI

InChI=1S/C31H32N2O6/c1-4-39-30(34)22-10-6-5-9-20(22)17-38-18-21-15-19(13-14-27(21)36-2)28-29-24(16-26(33-28)31(35)37-3)23-11-7-8-12-25(23)32-29/h5-15,26,28,32-33H,4,16-18H2,1-3H3/p+1/t26-,28-/m1/s1