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

Systemtic Name: 4-[ethyl-[1-(1H-pyrrol-3-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate Openeye Name: 4-[ethyl-[1-(1H-pyrrol-3-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 4-[ethyl-[1-(1H-pyrrol-3-yl)ethyl]amino]butyl ester IUPAC Name: 4-[ethyl-[1-(1H-pyrrol-3-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 4-[ethyl-[1-(1H-pyrrol-3-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)C(C)C2=CNC=C2

Isomeric SMILES

CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(C)C2=CNC=C2

InChI

InChI=1S/C22H32N2O5/c1-6-24(16(2)17-9-10-23-15-17)11-7-8-12-29-22(25)18-13-19(26-3)21(28-5)20(14-18)27-4/h9-10,13-16,23H,6-8,11-12H2,1-5H3