(4-methylphenyl) 2-[4-(6-imidazol-1-ylhexylamino)phenyl]ethanoate

Systemtic Name: (4-methylphenyl) 2-[4-(6-imidazol-1-ylhexylamino)phenyl]ethanoate Openeye Name: p-tolyl 2-[4-(6-imidazol-1-ylhexylamino)phenyl]acetate CAS Name: 2-[4-[6-(1-imidazolyl)hexylamino]phenyl]acetic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-[4-(6-imidazol-1-ylhexylamino)phenyl]acetate Traditional Name: 2-[4-(6-imidazol-1-ylhexylamino)phenyl]acetic acid p-tolyl ester Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)CC2=CC=C(C=C2)NCCCCCCN3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)CC2=CC=C(C=C2)NCCCCCCN3C=CN=C3

InChI

InChI=1S/C24H29N3O2/c1-20-6-12-23(13-7-20)29-24(28)18-21-8-10-22(11-9-21)26-14-4-2-3-5-16-27-17-15-25-19-27/h6-13,15,17,19,26H,2-5,14,16,18H2,1H3