3-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-1-(phenylmethyl)indol-5-yl]oxypropyl propanoate

Systemtic Name: 3-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-1-(phenylmethyl)indol-5-yl]oxypropyl propanoate Openeye Name: 3-[1-benzyl-3-(2-chloro-2-oxo-acetyl)indol-5-yl]oxypropyl propanoate CAS Name: propanoic acid 3-[[3-(2-chloro-1,2-dioxoethyl)-1-(phenylmethyl)-5-indolyl]oxy]propyl ester IUPAC Name: 3-[1-benzyl-3-(2-chloro-2-oxoacetyl)indol-5-yl]oxypropyl propanoate Traditional Name: propionic acid 3-[1-benzyl-3-(2-chloro-2-keto-acetyl)indol-5-yl]oxypropyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCCOC1=CC2=C(C=C1)N(C=C2C(=O)C(=O)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)OCCCOC1=CC2=C(C=C1)N(C=C2C(=O)C(=O)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C23H22ClNO5/c1-2-21(26)30-12-6-11-29-17-9-10-20-18(13-17)19(22(27)23(24)28)15-25(20)14-16-7-4-3-5-8-16/h3-5,7-10,13,15H,2,6,11-12,14H2,1H3