methyl 2-[(4-bromanyl-2-naphthalen-1-yl-phenyl)carbonylamino]-3-cyclohexyl-propanoate

Systemtic Name: methyl 2-[(4-bromanyl-2-naphthalen-1-yl-phenyl)carbonylamino]-3-cyclohexyl-propanoate Openeye Name: methyl 2-[[4-bromo-2-(1-naphthyl)benzoyl]amino]-3-cyclohexyl-propanoate CAS Name: 2-[[[4-bromo-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-naphthalen-1-ylbenzoyl)amino]-3-cyclohexylpropanoate Traditional Name: 2-[[4-bromo-2-(1-naphthyl)benzoyl]amino]-3-cyclohexyl-propionic acid methyl ester Formula: C27H28BrNO3 MolecularWeight: 494.42012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCCC1)NC(=O)C2=C(C=C(C=C2)Br)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C(CC1CCCCC1)NC(=O)C2=C(C=C(C=C2)Br)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H28BrNO3/c1-32-27(31)25(16-18-8-3-2-4-9-18)29-26(30)23-15-14-20(28)17-24(23)22-13-7-11-19-10-5-6-12-21(19)22/h5-7,10-15,17-18,25H,2-4,8-9,16H2,1H3,(H,29,30)