2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3-methoxybenzoate

Systemtic Name: 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3-methoxybenzoate Openeye Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazino]ethyl ester Formula: C29H32ClN3O3S MolecularWeight: 538.10068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C29H32ClN3O3S/c1-35-24-7-4-6-22(20-24)29(34)36-19-18-32-16-14-31(15-17-32)12-5-13-33-25-8-2-3-9-27(25)37-28-11-10-23(30)21-26(28)33/h2-4,6-11,20-21H,5,12-19H2,1H3