[(2S)-2-[4-(4-iodophenyl)butyl-(phenylmethyl)amino]-3-methyl-butyl] prop-2-enoate

Systemtic Name: [(2S)-2-[4-(4-iodophenyl)butyl-(phenylmethyl)amino]-3-methyl-butyl] prop-2-enoate Openeye Name: [(2S)-2-[benzyl-[4-(4-iodophenyl)butyl]amino]-3-methyl-butyl] prop-2-enoate CAS Name: 2-propenoic acid [(2S)-2-[4-(4-iodophenyl)butyl-(phenylmethyl)amino]-3-methylbutyl] ester IUPAC Name: [(2S)-2-[benzyl-[4-(4-iodophenyl)butyl]amino]-3-methylbutyl] prop-2-enoate Traditional Name: acrylic acid [(2S)-2-[benzyl-[4-(4-iodophenyl)butyl]amino]-3-methyl-butyl] ester Formula: C25H32INO2 MolecularWeight: 505.43155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC(=O)C=C)N(CCCCC1=CC=C(C=C1)I)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](COC(=O)C=C)N(CCCCC1=CC=C(C=C1)I)CC2=CC=CC=C2

InChI

InChI=1S/C25H32INO2/c1-4-25(28)29-19-24(20(2)3)27(18-22-11-6-5-7-12-22)17-9-8-10-21-13-15-23(26)16-14-21/h4-7,11-16,20,24H,1,8-10,17-19H2,2-3H3/t24-/m1/s1