methyl 4-[[5-(3-chloranyl-2-methyl-3-oxidanylidene-propyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-(3-chloranyl-2-methyl-3-oxidanylidene-propyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-(3-chloro-2-methyl-3-oxo-propyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-(3-chloro-2-methyl-3-oxopropyl)-1-propyl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-chloro-2-methyl-3-oxopropyl)-1-propylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-(3-chloro-3-keto-2-methyl-propyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C25H28ClNO4 MolecularWeight: 441.94712

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)CC(C)C(=O)Cl)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)CC(C)C(=O)Cl)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C25H28ClNO4/c1-5-10-27-15-20(13-18-7-8-19(25(29)31-4)14-23(18)30-3)21-12-17(6-9-22(21)27)11-16(2)24(26)28/h6-9,12,14-16H,5,10-11,13H2,1-4H3