4-[ethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate

Systemtic Name: 4-[ethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate Openeye Name: 4-[ethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 4-[ethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]butyl ester IUPAC Name: 4-[ethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 4-[ethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]butyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=CN2

Isomeric SMILES

CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=CN2

InChI

InChI=1S/C22H32N2O5/c1-5-24(13-10-18-9-8-11-23-18)12-6-7-14-29-22(25)17-15-19(26-2)21(28-4)20(16-17)27-3/h8-9,11,15-16,23H,5-7,10,12-14H2,1-4H3