4-[2-[(3-cyclopropyl-2-naphthalen-1-yl-propanoyl)amino]-4-isocyano-phenyl]butanoic acid

Systemtic Name: 4-[2-[(3-cyclopropyl-2-naphthalen-1-yl-propanoyl)amino]-4-isocyano-phenyl]butanoic acid Openeye Name: 4-[2-[[3-cyclopropyl-2-(1-naphthyl)propanoyl]amino]-4-isocyano-phenyl]butanoic acid CAS Name: 4-[2-[[3-cyclopropyl-2-(1-naphthalenyl)-1-oxopropyl]amino]-4-isocyanophenyl]butanoic acid IUPAC Name: 4-[2-[(3-cyclopropyl-2-naphthalen-1-ylpropanoyl)amino]-4-isocyanophenyl]butanoic acid Traditional Name: 4-[2-[[3-cyclopropyl-2-(1-naphthyl)propanoyl]amino]-4-isocyano-phenyl]butyric acid Formula: C27H26N2O3 MolecularWeight: 426.50694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC(=C(C=C1)CCCC(=O)O)NC(=O)C(CC2CC2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

[C-]#[N+]C1=CC(=C(C=C1)CCCC(=O)O)NC(=O)C(CC2CC2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H26N2O3/c1-28-21-15-14-20(8-5-11-26(30)31)25(17-21)29-27(32)24(16-18-12-13-18)23-10-4-7-19-6-2-3-9-22(19)23/h2-4,6-7,9-10,14-15,17-18,24H,5,8,11-13,16H2,(H,29,32)(H,30,31)