3-[2-[(2-cyclopropyl-1-phenyl-ethyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[(2-cyclopropyl-1-phenyl-ethyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[(2-cyclopropyl-1-phenyl-ethyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[(2-cyclopropyl-1-phenylethyl)amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(2-cyclopropyl-1-phenylethyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(2-cyclopropyl-1-phenyl-ethyl)carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C1CC1CC(C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C28H29NO4/c30-27(31)16-15-22-14-13-21(19-33-24-9-5-2-6-10-24)17-25(22)28(32)29-26(18-20-11-12-20)23-7-3-1-4-8-23/h1-10,13-14,17,20,26H,11-12,15-16,18-19H2,(H,29,32)(H,30,31)