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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CN(C2=CC=C1)CC3=CC=CC(=C3C(=O)NC4(CCOCC4)CCC5=CC=CC=C5)CCC(=O)O

Isomeric SMILES

CC1=C2C=CN(C2=CC=C1)CC3=CC=CC(=C3C(=O)NC4(CCOCC4)CCC5=CC=CC=C5)CCC(=O)O

InChI

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