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

Systemtic Name: methyl (2S)-2-[[(3R,4R)-3-methylocta-1,7-dien-4-yl]amino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[(1R)-1-[(1R)-1-methylallyl]pent-4-enyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[(3R,4R)-3-methylocta-1,7-dien-4-yl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[(3R,4R)-3-methylocta-1,7-dien-4-yl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[(1R)-1-[(1R)-1-methylallyl]pent-4-enyl]amino]-2-phenyl-acetic acid methyl ester Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C(CCC=C)NC(C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

C[C@H](C=C)[C@@H](CCC=C)N[C@@H](C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C18H25NO2/c1-5-7-13-16(14(3)6-2)19-17(18(20)21-4)15-11-9-8-10-12-15/h5-6,8-12,14,16-17,19H,1-2,7,13H2,3-4H3/t14-,16-,17+/m1/s1