2-[4-(3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-[4-(3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-[4-(3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-[4-[3-(10-phenothiazinyl)propyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-[4-(3-phenothiazin-10-ylpropyl)piperazino]ethyl ester Formula: C31H37N3O5S MolecularWeight: 563.70758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C31H37N3O5S/c1-36-26-21-23(22-27(37-2)30(26)38-3)31(35)39-20-19-33-17-15-32(16-18-33)13-8-14-34-24-9-4-6-11-28(24)40-29-12-7-5-10-25(29)34/h4-7,9-12,21-22H,8,13-20H2,1-3H3