methyl (2S)-2-[[(3R,4S)-1,4-diphenylhex-5-en-3-yl]amino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[(3R,4S)-1,4-diphenylhex-5-en-3-yl]amino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[(1R,2S)-1-phenethyl-2-phenyl-but-3-enyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[(3R,4S)-1,4-diphenylhex-5-en-3-yl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[(3R,4S)-1,4-diphenylhex-5-en-3-yl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[(1R,2S)-1-phenethyl-2-phenyl-but-3-enyl]amino]-2-phenyl-acetic acid methyl ester Formula: C27H29NO2 MolecularWeight: 399.52466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(CCC2=CC=CC=C2)C(C=C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)N[C@H](CCC2=CC=CC=C2)[C@@H](C=C)C3=CC=CC=C3

InChI

InChI=1S/C27H29NO2/c1-3-24(22-15-9-5-10-16-22)25(20-19-21-13-7-4-8-14-21)28-26(27(29)30-2)23-17-11-6-12-18-23/h3-18,24-26,28H,1,19-20H2,2H3/t24-,25+,26-/m0/s1