2-[[4-methoxy-3-[(4-phenethylphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid

Systemtic Name: 2-[[4-methoxy-3-[(4-phenethylphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid Openeye Name: 2-[[4-methoxy-3-[(4-phenethylphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid CAS Name: 2-[[4-methoxy-3-[oxo-[(4-phenethylphenyl)methylamino]methyl]phenyl]methyl]butanoic acid IUPAC Name: 2-[[4-methoxy-3-[(4-phenethylphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid Traditional Name: 2-[4-methoxy-3-[(4-phenethylbenzyl)carbamoyl]benzyl]butyric acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=C(C=C1)OC)C(=O)NCC2=CC=C(C=C2)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(CC1=CC(=C(C=C1)OC)C(=O)NCC2=CC=C(C=C2)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H31NO4/c1-3-24(28(31)32)17-23-15-16-26(33-2)25(18-23)27(30)29-19-22-13-11-21(12-14-22)10-9-20-7-5-4-6-8-20/h4-8,11-16,18,24H,3,9-10,17,19H2,1-2H3,(H,29,30)(H,31,32)