methyl 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-1H-indole-6-carboxylate

Systemtic Name: methyl 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-1H-indole-6-carboxylate Openeye Name: methyl 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-1H-indole-6-carboxylate CAS Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1H-indole-6-carboxylate Traditional Name: 4-[3-(homoveratrylamino)-2-hydroxy-propoxy]-1H-indole-6-carboxylic acid methyl ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=CC(=CC3=C2C=CN3)C(=O)OC)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC(=CC3=C2C=CN3)C(=O)OC)O)OC

InChI

InChI=1S/C23H28N2O6/c1-28-20-5-4-15(10-22(20)29-2)6-8-24-13-17(26)14-31-21-12-16(23(27)30-3)11-19-18(21)7-9-25-19/h4-5,7,9-12,17,24-26H,6,8,13-14H2,1-3H3