3-[4-[(3-methylindol-1-yl)methyl]-2-[(4-phenethyloxan-4-yl)carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(3-methylindol-1-yl)methyl]-2-[(4-phenethyloxan-4-yl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3-methylindol-1-yl)methyl]-2-[(4-phenethyltetrahydropyran-4-yl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(3-methyl-1-indolyl)methyl]-2-[oxo-[(4-phenethyl-4-oxanyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-methylindol-1-yl)methyl]-2-[(4-phenethyloxan-4-yl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(3-methylindol-1-yl)methyl]-2-[(4-phenethyltetrahydropyran-4-yl)carbamoyl]phenyl]propionic acid Formula: C33H36N2O4 MolecularWeight: 524.64994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=CC=CC=C12)CC3=CC(=C(C=C3)CCC(=O)O)C(=O)NC4(CCOCC4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=CN(C2=CC=CC=C12)CC3=CC(=C(C=C3)CCC(=O)O)C(=O)NC4(CCOCC4)CCC5=CC=CC=C5

InChI

InChI=1S/C33H36N2O4/c1-24-22-35(30-10-6-5-9-28(24)30)23-26-11-12-27(13-14-31(36)37)29(21-26)32(38)34-33(17-19-39-20-18-33)16-15-25-7-3-2-4-8-25/h2-12,21-22H,13-20,23H2,1H3,(H,34,38)(H,36,37)