3-(4-butylpiperazin-1-yl)propyl 9H-xanthene-9-carboxylate; iodanylmethane

Systemtic Name: 3-(4-butylpiperazin-1-yl)propyl 9H-xanthene-9-carboxylate; iodanylmethane Openeye Name: 3-(4-butylpiperazin-1-yl)propyl 9H-xanthene-9-carboxylate; iodomethane CAS Name: iodomethane; 9H-xanthene-9-carboxylic acid 3-(4-butyl-1-piperazinyl)propyl ester IUPAC Name: 3-(4-butylpiperazin-1-yl)propyl 9H-xanthene-9-carboxylate; iodomethane Traditional Name: iodomethane; 9H-xanthene-9-carboxylic acid 3-(4-butylpiperazino)propyl ester Formula: C27H38I2N2O3 MolecularWeight: 692.41116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)CCCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24.CI.CI

Isomeric SMILES

CCCCN1CCN(CC1)CCCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24.CI.CI

InChI

InChI=1S/C25H32N2O3.2CH3I/c1-2-3-13-26-15-17-27(18-16-26)14-8-19-29-25(28)24-20-9-4-6-11-22(20)30-23-12-7-5-10-21(23)24;2*1-2/h4-7,9-12,24H,2-3,8,13-19H2,1H3;2*1H3