4-chloranyl-1-methoxy-5-(phenylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboxylic acid

Systemtic Name: 4-chloranyl-1-methoxy-5-(phenylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboxylic acid Openeye Name: 5-benzyl-4-chloro-1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboxylic acid CAS Name: 4-chloro-1-methoxy-5-(phenylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboxylic acid IUPAC Name: 5-benzyl-4-chloro-1-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboxylic acid Traditional Name: 5-benzyl-4-chloro-1-methoxy-7,8,9,10-tetrahydro-6H-cyclohept[b]indole-10-carboxylic acid Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C3=C(CCCCC3C(=O)O)N(C2=C(C=C1)Cl)CC4=CC=CC=C4

Isomeric SMILES

COC1=C2C3=C(CCCCC3C(=O)O)N(C2=C(C=C1)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClNO3/c1-27-18-12-11-16(23)21-20(18)19-15(22(25)26)9-5-6-10-17(19)24(21)13-14-7-3-2-4-8-14/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,25,26)