[2-[methyl-(phenylmethyl)amino]-3-oxidanylidene-3-(pentylamino)propyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [2-[methyl-(phenylmethyl)amino]-3-oxidanylidene-3-(pentylamino)propyl] (E)-3-phenylprop-2-enoate Openeye Name: [2-[benzyl(methyl)amino]-3-oxo-3-(pentylamino)propyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [2-[methyl-(phenylmethyl)amino]-3-oxo-3-(pentylamino)propyl] ester IUPAC Name: [2-[benzyl(methyl)amino]-3-oxo-3-(pentylamino)propyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [3-(amylamino)-2-[benzyl(methyl)amino]-3-keto-propyl] ester Formula: C25H32N2O3 MolecularWeight: 408.53318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(COC(=O)C=CC1=CC=CC=C1)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCNC(=O)C(COC(=O)/C=C/C1=CC=CC=C1)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C25H32N2O3/c1-3-4-11-18-26-25(29)23(27(2)19-22-14-9-6-10-15-22)20-30-24(28)17-16-21-12-7-5-8-13-21/h5-10,12-17,23H,3-4,11,18-20H2,1-2H3,(H,26,29)/b17-16+