2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate

Systemtic Name: 2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate Openeye Name: 2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate CAS Name: 3-(9-acridinylamino)propanoic acid 2-[bis(2-chloroethyl)amino]ethyl ester IUPAC Name: 2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate Traditional Name: 3-(acridin-9-ylamino)propionic acid 2-[bis(2-chloroethyl)amino]ethyl ester Formula: C22H25Cl2N3O2 MolecularWeight: 434.3588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCC(=O)OCCN(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCC(=O)OCCN(CCCl)CCCl

InChI

InChI=1S/C22H25Cl2N3O2/c23-10-13-27(14-11-24)15-16-29-21(28)9-12-25-22-17-5-1-3-7-19(17)26-20-8-4-2-6-18(20)22/h1-8H,9-16H2,(H,25,26)