3-[2-[(3-methyl-1-naphthalen-1-yl-butyl)carbamoyl]-4-phenoxy-phenyl]propanoic acid

Systemtic Name: 3-[2-[(3-methyl-1-naphthalen-1-yl-butyl)carbamoyl]-4-phenoxy-phenyl]propanoic acid Openeye Name: 3-[2-[[3-methyl-1-(1-naphthyl)butyl]carbamoyl]-4-phenoxy-phenyl]propanoic acid CAS Name: 3-[2-[[[3-methyl-1-(1-naphthalenyl)butyl]amino]-oxomethyl]-4-phenoxyphenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-naphthalen-1-ylbutyl)carbamoyl]-4-phenoxyphenyl]propanoic acid Traditional Name: 3-[2-[[3-methyl-1-(1-naphthyl)butyl]carbamoyl]-4-phenoxy-phenyl]propionic acid Formula: C31H31NO4 MolecularWeight: 481.58214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)OC4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)OC4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C31H31NO4/c1-21(2)19-29(27-14-8-10-22-9-6-7-13-26(22)27)32-31(35)28-20-25(36-24-11-4-3-5-12-24)17-15-23(28)16-18-30(33)34/h3-15,17,20-21,29H,16,18-19H2,1-2H3,(H,32,35)(H,33,34)