2-[1-(4-chloranyl-2,3,5,6-tetradeuterio-phenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-chloranyl-2,3,5,6-tetradeuterio-phenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-chloro-2,3,5,6-tetradeuterio-benzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(4-chloro-2,3,5,6-tetradeuteriophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-chloro-2,3,5,6-tetradeuteriobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(4-chloro-2,3,5,6-tetradeuterio-benzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid Formula: C19H16ClNO4 MolecularWeight: 361.812287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1C(=O)N2C(=C(C3=C2C=CC(=C3)OC)CC(=O)O)C)[2H])[2H])Cl)[2H]

InChI

InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)/i3D,4D,5D,6D