methyl 4-[(E,1R)-1-(2-phenylethanoylamino)-2-propyl-hex-2-enyl]benzoate

Systemtic Name: methyl 4-[(E,1R)-1-(2-phenylethanoylamino)-2-propyl-hex-2-enyl]benzoate Openeye Name: methyl 4-[(E,1R)-1-[(2-phenylacetyl)amino]-2-propyl-hex-2-enyl]benzoate CAS Name: 4-[(E,1R)-1-[(1-oxo-2-phenylethyl)amino]-2-propylhex-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,1R)-1-[(2-phenylacetyl)amino]-2-propylhex-2-enyl]benzoate Traditional Name: 4-[(E,1R)-1-[(2-phenylacetyl)amino]-2-propyl-hex-2-enyl]benzoic acid methyl ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(CCC)C(C1=CC=C(C=C1)C(=O)OC)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCC/C=C(\CCC)/[C@H](C1=CC=C(C=C1)C(=O)OC)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C25H31NO3/c1-4-6-13-20(10-5-2)24(21-14-16-22(17-15-21)25(28)29-3)26-23(27)18-19-11-8-7-9-12-19/h7-9,11-17,24H,4-6,10,18H2,1-3H3,(H,26,27)/b20-13+/t24-/m1/s1