4-(phenethylamino)butyl 3,4,5-trimethoxybenzoate

Systemtic Name: 4-(phenethylamino)butyl 3,4,5-trimethoxybenzoate Openeye Name: 4-(phenethylamino)butyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 4-(phenethylamino)butyl ester IUPAC Name: 4-(phenethylamino)butyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 4-(phenethylamino)butyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCNCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCNCCC2=CC=CC=C2

InChI

InChI=1S/C22H29NO5/c1-25-19-15-18(16-20(26-2)21(19)27-3)22(24)28-14-8-7-12-23-13-11-17-9-5-4-6-10-17/h4-6,9-10,15-16,23H,7-8,11-14H2,1-3H3