(E)-2-(2,3-dihydroindol-1-ylcarbonyl)-3-[3-methoxy-4-(3-phenoxypropoxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(2,3-dihydroindol-1-ylcarbonyl)-3-[3-methoxy-4-(3-phenoxypropoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(indoline-1-carbonyl)-3-[3-methoxy-4-(3-phenoxypropoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-[2,3-dihydroindol-1-yl(oxo)methyl]-3-[3-methoxy-4-(3-phenoxypropoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(2,3-dihydroindole-1-carbonyl)-3-[3-methoxy-4-(3-phenoxypropoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(indoline-1-carbonyl)-3-[3-methoxy-4-(3-phenoxypropoxy)phenyl]acrylonitrile Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCC3=CC=CC=C32)OCCCOC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCC3=CC=CC=C32)OCCCOC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O4/c1-32-27-19-21(12-13-26(27)34-17-7-16-33-24-9-3-2-4-10-24)18-23(20-29)28(31)30-15-14-22-8-5-6-11-25(22)30/h2-6,8-13,18-19H,7,14-17H2,1H3/b23-18+