3-methyl-2-naphthalen-1-yl-5-(pent-4-ynoylamino)-4-phenyl-benzoic acid

Systemtic Name: 3-methyl-2-naphthalen-1-yl-5-(pent-4-ynoylamino)-4-phenyl-benzoic acid Openeye Name: 3-methyl-2-(1-naphthyl)-5-(pent-4-ynoylamino)-4-phenyl-benzoic acid CAS Name: 3-methyl-2-(1-naphthalenyl)-5-(1-oxopent-4-ynylamino)-4-phenylbenzoic acid IUPAC Name: 3-methyl-2-naphthalen-1-yl-5-(pent-4-ynoylamino)-4-phenylbenzoic acid Traditional Name: 3-methyl-2-(1-naphthyl)-5-(pent-4-ynoylamino)-4-phenyl-benzoic acid Formula: C29H23NO3 MolecularWeight: 433.49782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1C2=CC=CC=C2)NC(=O)CCC#C)C(=O)O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=CC(=C1C2=CC=CC=C2)NC(=O)CCC#C)C(=O)O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H23NO3/c1-3-4-17-26(31)30-25-18-24(29(32)33)28(19(2)27(25)21-12-6-5-7-13-21)23-16-10-14-20-11-8-9-15-22(20)23/h1,5-16,18H,4,17H2,2H3,(H,30,31)(H,32,33)