(E)-4-[3-methoxy-4-methyl-5-[(1-propylindol-3-yl)methoxycarbonyl]phenyl]but-3-enoic acid

Systemtic Name: (E)-4-[3-methoxy-4-methyl-5-[(1-propylindol-3-yl)methoxycarbonyl]phenyl]but-3-enoic acid Openeye Name: (E)-4-[3-methoxy-4-methyl-5-[(1-propylindol-3-yl)methoxycarbonyl]phenyl]but-3-enoic acid CAS Name: (E)-4-[3-methoxy-4-methyl-5-[oxo-[(1-propyl-3-indolyl)methoxy]methyl]phenyl]-3-butenoic acid IUPAC Name: (E)-4-[3-methoxy-4-methyl-5-[(1-propylindol-3-yl)methoxycarbonyl]phenyl]but-3-enoic acid Traditional Name: (E)-4-[3-methoxy-4-methyl-5-[(1-propylindol-3-yl)methoxycarbonyl]phenyl]but-3-enoic acid Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)COC(=O)C3=C(C(=CC(=C3)C=CCC(=O)O)OC)C

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)COC(=O)C3=C(C(=CC(=C3)/C=C/CC(=O)O)OC)C

InChI

InChI=1S/C25H27NO5/c1-4-12-26-15-19(20-9-5-6-10-22(20)26)16-31-25(29)21-13-18(8-7-11-24(27)28)14-23(30-3)17(21)2/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,27,28)/b8-7+