5-chloranyl-1-[(3,4-dimethylphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-1-[(3,4-dimethylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 5-chloro-1-[(3,4-dimethylphenyl)methyl]indole-2-carboxylic acid CAS Name: 5-chloro-1-[(3,4-dimethylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-chloro-1-[(3,4-dimethylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 5-chloro-1-(3,4-dimethylbenzyl)indole-2-carboxylic acid Formula: C18H16ClNO2 MolecularWeight: 313.77814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C=C2C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C=C2C(=O)O)C

InChI

InChI=1S/C18H16ClNO2/c1-11-3-4-13(7-12(11)2)10-20-16-6-5-15(19)8-14(16)9-17(20)18(21)22/h3-9H,10H2,1-2H3,(H,21,22)