methyl 5,6-dimethoxy-3-(4-methoxyphenyl)-1-(3-oxidanylpropyl)indole-2-carboxylate

Systemtic Name: methyl 5,6-dimethoxy-3-(4-methoxyphenyl)-1-(3-oxidanylpropyl)indole-2-carboxylate Openeye Name: methyl 1-(3-hydroxypropyl)-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carboxylate CAS Name: 1-(3-hydroxypropyl)-5,6-dimethoxy-3-(4-methoxyphenyl)-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-hydroxypropyl)-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carboxylate Traditional Name: 1-(3-hydroxypropyl)-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carboxylic acid methyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C3=CC(=C(C=C32)OC)OC)CCCO)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C3=CC(=C(C=C32)OC)OC)CCCO)C(=O)OC

InChI

InChI=1S/C22H25NO6/c1-26-15-8-6-14(7-9-15)20-16-12-18(27-2)19(28-3)13-17(16)23(10-5-11-24)21(20)22(25)29-4/h6-9,12-13,24H,5,10-11H2,1-4H3