2-[5-chloranyl-2-methyl-3-[4-(propan-2-ylcarbamoyl)phenoxy]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-methyl-3-[4-(propan-2-ylcarbamoyl)phenoxy]indol-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-3-[4-(isopropylcarbamoyl)phenoxy]-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[5-chloro-2-methyl-3-[4-[oxo-(propan-2-ylamino)methyl]phenoxy]-1-indolyl]acetic acid IUPAC Name: 2-[5-chloro-2-methyl-3-[4-(propan-2-ylcarbamoyl)phenoxy]indol-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-[4-(isopropylcarbamoyl)phenoxy]-2-methyl-indol-1-yl]acetic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)OC3=CC=C(C=C3)C(=O)NC(C)C

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)OC3=CC=C(C=C3)C(=O)NC(C)C

InChI

InChI=1S/C21H21ClN2O4/c1-12(2)23-21(27)14-4-7-16(8-5-14)28-20-13(3)24(11-19(25)26)18-9-6-15(22)10-17(18)20/h4-10,12H,11H2,1-3H3,(H,23,27)(H,25,26)