methyl 2-[[[(1R)-1-phenylethyl]-prop-2-enyl-amino]methyl]heptanoate

Systemtic Name: methyl 2-[[[(1R)-1-phenylethyl]-prop-2-enyl-amino]methyl]heptanoate Openeye Name: methyl 2-[[allyl-[(1R)-1-phenylethyl]amino]methyl]heptanoate CAS Name: 2-[[[(1R)-1-phenylethyl]-prop-2-enylamino]methyl]heptanoic acid methyl ester IUPAC Name: methyl 2-[[[(1R)-1-phenylethyl]-prop-2-enylamino]methyl]heptanoate Traditional Name: 2-[[allyl-[(1R)-1-phenylethyl]amino]methyl]enanthic acid methyl ester Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CN(CC=C)C(C)C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCCCCC(CN(CC=C)[C@H](C)C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C20H31NO2/c1-5-7-9-14-19(20(22)23-4)16-21(15-6-2)17(3)18-12-10-8-11-13-18/h6,8,10-13,17,19H,2,5,7,9,14-16H2,1,3-4H3/t17-,19?/m1/s1