methyl 2-(cyclohexen-1-ylmethyl)-3-[[4-(3-ethylphenyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 2-(cyclohexen-1-ylmethyl)-3-[[4-(3-ethylphenyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 2-(cyclohexen-1-ylmethyl)-3-[[4-(3-ethylphenyl)benzoyl]amino]butanoate CAS Name: 2-(1-cyclohexenylmethyl)-3-[[[4-(3-ethylphenyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-(cyclohexen-1-ylmethyl)-3-[[4-(3-ethylphenyl)benzoyl]amino]butanoate Traditional Name: 2-(cyclohexen-1-ylmethyl)-3-[[4-(3-ethylphenyl)benzoyl]amino]butyric acid methyl ester Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(C)C(CC3=CCCCC3)C(=O)OC

Isomeric SMILES

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(C)C(CC3=CCCCC3)C(=O)OC

InChI

InChI=1S/C27H33NO3/c1-4-20-11-8-12-24(17-20)22-13-15-23(16-14-22)26(29)28-19(2)25(27(30)31-3)18-21-9-6-5-7-10-21/h8-9,11-17,19,25H,4-7,10,18H2,1-3H3,(H,28,29)