4-[1-[(4-chlorophenyl)methyl]indol-3-yl]butanoate

Systemtic Name: 4-[1-[(4-chlorophenyl)methyl]indol-3-yl]butanoate Openeye Name: 4-[1-[(4-chlorophenyl)methyl]indol-3-yl]butanoate CAS Name: 4-[1-[(4-chlorophenyl)methyl]-3-indolyl]butanoate IUPAC Name: 4-[1-[(4-chlorophenyl)methyl]indol-3-yl]butanoate Traditional Name: 4-[1-(4-chlorobenzyl)indol-3-yl]butyrate Formula: C19H17ClNO2- MolecularWeight: 326.79678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)CCCC(=O)[O-]

InChI

InChI=1S/C19H18ClNO2/c20-16-10-8-14(9-11-16)12-21-13-15(4-3-7-19(22)23)17-5-1-2-6-18(17)21/h1-2,5-6,8-11,13H,3-4,7,12H2,(H,22,23)/p-1