methyl 9-[[3-[3-[bis(2-chloroethyl)amino]propoxy]-3-oxidanylidene-propyl]amino]acridine-2-carboxylate

Systemtic Name: methyl 9-[[3-[3-[bis(2-chloroethyl)amino]propoxy]-3-oxidanylidene-propyl]amino]acridine-2-carboxylate Openeye Name: methyl 9-[[3-[3-[bis(2-chloroethyl)amino]propoxy]-3-oxo-propyl]amino]acridine-2-carboxylate CAS Name: 9-[[3-[3-[bis(2-chloroethyl)amino]propoxy]-3-oxopropyl]amino]-2-acridinecarboxylic acid methyl ester IUPAC Name: methyl 9-[[3-[3-[bis(2-chloroethyl)amino]propoxy]-3-oxopropyl]amino]acridine-2-carboxylate Traditional Name: 9-[[3-[3-[bis(2-chloroethyl)amino]propoxy]-3-keto-propyl]amino]acridine-2-carboxylic acid methyl ester Formula: C25H29Cl2N3O4 MolecularWeight: 506.42146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCC(=O)OCCCN(CCCl)CCCl

Isomeric SMILES

COC(=O)C1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCC(=O)OCCCN(CCCl)CCCl

InChI

InChI=1S/C25H29Cl2N3O4/c1-33-25(32)18-7-8-22-20(17-18)24(19-5-2-3-6-21(19)29-22)28-12-9-23(31)34-16-4-13-30(14-10-26)15-11-27/h2-3,5-8,17H,4,9-16H2,1H3,(H,28,29)