acridine; (2S)-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid

Systemtic Name: acridine; (2S)-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Openeye Name: acridine; (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid CAS Name: acridine; (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid IUPAC Name: acridine; (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Traditional Name: acridine; (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid Formula: C26H27Cl2N3O2 MolecularWeight: 484.41748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=N2.C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl

InChI

InChI=1S/C13H18Cl2N2O2.C13H9N/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-4,12H,5-9,16H2,(H,18,19);1-9H/t12-;/m0./s1