3-[2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[[(1S)-1-(1-naphthyl)ethyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[[(1S)-1-(1-naphthalenyl)ethyl]amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[[(1S)-1-(1-naphthyl)ethyl]carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C29H27NO4/c1-20(25-13-7-9-22-8-5-6-12-26(22)25)30-29(33)27-18-21(14-15-23(27)16-17-28(31)32)19-34-24-10-3-2-4-11-24/h2-15,18,20H,16-17,19H2,1H3,(H,30,33)(H,31,32)/t20-/m0/s1