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

Systemtic Name: 5,6-dimethoxy-3-(4-methoxyphenyl)-1-(3-oxidanylpropyl)indole-2-carbonitrile Openeye Name: 1-(3-hydroxypropyl)-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile CAS Name: 1-(3-hydroxypropyl)-5,6-dimethoxy-3-(4-methoxyphenyl)-2-indolecarbonitrile IUPAC Name: 1-(3-hydroxypropyl)-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile Traditional Name: 1-(3-hydroxypropyl)-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile Formula: C21H22N2O4 MolecularWeight: 366.41038

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-25-15-7-5-14(6-8-15)21-16-11-19(26-2)20(27-3)12-17(16)23(9-4-10-24)18(21)13-22/h5-8,11-12,24H,4,9-10H2,1-3H3