methyl (2S)-2-[[(3S,4R)-3-(6-chloranylpyridin-3-yl)octa-1,7-dien-4-yl]amino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[(3S,4R)-3-(6-chloranylpyridin-3-yl)octa-1,7-dien-4-yl]amino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[(1R)-1-[(1S)-1-(6-chloro-3-pyridyl)allyl]pent-4-enyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[(3S,4R)-3-(6-chloro-3-pyridinyl)octa-1,7-dien-4-yl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[(3S,4R)-3-(6-chloropyridin-3-yl)octa-1,7-dien-4-yl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[(1R)-1-[(1S)-1-(6-chloro-3-pyridyl)allyl]pent-4-enyl]amino]-2-phenyl-acetic acid methyl ester Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(CCC=C)C(C=C)C2=CN=C(C=C2)Cl

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)N[C@H](CCC=C)[C@@H](C=C)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C22H25ClN2O2/c1-4-6-12-19(18(5-2)17-13-14-20(23)24-15-17)25-21(22(26)27-3)16-10-8-7-9-11-16/h4-5,7-11,13-15,18-19,21,25H,1-2,6,12H2,3H3/t18-,19+,21-/m0/s1