N-methylmethanamide; 4-[2-(1-naphthalen-1-ylethylcarbamoyl)-4-phenoxy-phenyl]butanoic acid

Systemtic Name: N-methylmethanamide; 4-[2-(1-naphthalen-1-ylethylcarbamoyl)-4-phenoxy-phenyl]butanoic acid Openeye Name: N-methylformamide; 4-[2-[1-(1-naphthyl)ethylcarbamoyl]-4-phenoxy-phenyl]butanoic acid CAS Name: N-methylformamide; 4-[2-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]-4-phenoxyphenyl]butanoic acid IUPAC Name: N-methylformamide; 4-[2-(1-naphthalen-1-ylethylcarbamoyl)-4-phenoxyphenyl]butanoic acid Traditional Name: N-methylformamide; 4-[2-[1-(1-naphthyl)ethylcarbamoyl]-4-phenoxy-phenyl]butyric acid Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)OC4=CC=CC=C4)CCCC(=O)O.CNC=O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)OC4=CC=CC=C4)CCCC(=O)O.CNC=O

InChI

InChI=1S/C29H27NO4.C2H5NO/c1-20(25-15-7-10-21-9-5-6-14-26(21)25)30-29(33)27-19-24(34-23-12-3-2-4-13-23)18-17-22(27)11-8-16-28(31)32;1-3-2-4/h2-7,9-10,12-15,17-20H,8,11,16H2,1H3,(H,30,33)(H,31,32);2H,1H3,(H,3,4)