ethyl (E)-3-[1-[(4-butylphenyl)methyl]indol-5-yl]but-2-enoate

Systemtic Name: ethyl (E)-3-[1-[(4-butylphenyl)methyl]indol-5-yl]but-2-enoate Openeye Name: ethyl (E)-3-[1-[(4-butylphenyl)methyl]indol-5-yl]but-2-enoate CAS Name: (E)-3-[1-[(4-butylphenyl)methyl]-5-indolyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-[(4-butylphenyl)methyl]indol-5-yl]but-2-enoate Traditional Name: (E)-3-[1-(4-butylbenzyl)indol-5-yl]but-2-enoic acid ethyl ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)C(=CC(=O)OCC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)/C(=C/C(=O)OCC)/C

InChI

InChI=1S/C25H29NO2/c1-4-6-7-20-8-10-21(11-9-20)18-26-15-14-23-17-22(12-13-24(23)26)19(3)16-25(27)28-5-2/h8-17H,4-7,18H2,1-3H3/b19-16+