3-cyanopropyl 1-propoxyacridine-9-carboxylate

Systemtic Name: 3-cyanopropyl 1-propoxyacridine-9-carboxylate Openeye Name: 3-cyanopropyl 1-propoxyacridine-9-carboxylate CAS Name: 1-propoxy-9-acridinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-propoxyacridine-9-carboxylate Traditional Name: 1-propoxyacridine-9-carboxylic acid 3-cyanopropyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC2=NC3=CC=CC=C3C(=C21)C(=O)OCCCC#N

Isomeric SMILES

CCCOC1=CC=CC2=NC3=CC=CC=C3C(=C21)C(=O)OCCCC#N

InChI

InChI=1S/C21H20N2O3/c1-2-13-25-18-11-7-10-17-20(18)19(21(24)26-14-6-5-12-22)15-8-3-4-9-16(15)23-17/h3-4,7-11H,2,5-6,13-14H2,1H3