[(3S)-3-[(4-iodophenyl)methyl-(phenylmethyl)amino]-2,4-dimethyl-pentan-2-yl] prop-2-enoate

Systemtic Name: [(3S)-3-[(4-iodophenyl)methyl-(phenylmethyl)amino]-2,4-dimethyl-pentan-2-yl] prop-2-enoate Openeye Name: [(2S)-2-[benzyl-[(4-iodophenyl)methyl]amino]-1,1,3-trimethyl-butyl] prop-2-enoate CAS Name: 2-propenoic acid [(3S)-3-[(4-iodophenyl)methyl-(phenylmethyl)amino]-2,4-dimethylpentan-2-yl] ester IUPAC Name: [(3S)-3-[benzyl-[(4-iodophenyl)methyl]amino]-2,4-dimethylpentan-2-yl] prop-2-enoate Traditional Name: acrylic acid [(2S)-2-[benzyl-(4-iodobenzyl)amino]-1,1,3-trimethyl-butyl] ester Formula: C24H30INO2 MolecularWeight: 491.40497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)(C)OC(=O)C=C)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)I

Isomeric SMILES

CC(C)[C@@H](C(C)(C)OC(=O)C=C)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)I

InChI

InChI=1S/C24H30INO2/c1-6-22(27)28-24(4,5)23(18(2)3)26(16-19-10-8-7-9-11-19)17-20-12-14-21(25)15-13-20/h6-15,18,23H,1,16-17H2,2-5H3/t23-/m0/s1