(4-methoxyphenyl)methyl 4-[3-[(E)-2-methylnon-2-enoyl]indol-1-yl]butanoate

Systemtic Name: (4-methoxyphenyl)methyl 4-[3-[(E)-2-methylnon-2-enoyl]indol-1-yl]butanoate Openeye Name: (4-methoxyphenyl)methyl 4-[3-[(E)-2-methylnon-2-enoyl]indol-1-yl]butanoate CAS Name: 4-[3-[(E)-2-methyl-1-oxonon-2-enyl]-1-indolyl]butanoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 4-[3-[(E)-2-methylnon-2-enoyl]indol-1-yl]butanoate Traditional Name: 4-[3-[(E)-2-methylnon-2-enoyl]indol-1-yl]butyric acid p-anisyl ester Formula: C30H37NO4 MolecularWeight: 475.61908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=C(C)C(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCC/C=C(\C)/C(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C30H37NO4/c1-4-5-6-7-8-12-23(2)30(33)27-21-31(28-14-10-9-13-26(27)28)20-11-15-29(32)35-22-24-16-18-25(34-3)19-17-24/h9-10,12-14,16-19,21H,4-8,11,15,20,22H2,1-3H3/b23-12+