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

Systemtic Name: 3-[2-[(3-methyl-1-naphthalen-1-yl-butyl)carbamoyl]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[[3-methyl-1-(1-naphthyl)butyl]carbamoyl]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[[[3-methyl-1-(1-naphthalenyl)butyl]amino]-oxomethyl]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-naphthalen-1-ylbutyl)carbamoyl]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[[3-methyl-1-(1-naphthyl)butyl]carbamoyl]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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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)CN4C=CC=N4)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

InChI

InChI=1S/C29H31N3O3/c1-20(2)17-27(25-10-5-8-22-7-3-4-9-24(22)25)31-29(35)26-18-21(19-32-16-6-15-30-32)11-12-23(26)13-14-28(33)34/h3-12,15-16,18,20,27H,13-14,17,19H2,1-2H3,(H,31,35)(H,33,34)