2-diethylaminoethyl (2S)-2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate

Systemtic Name: 2-diethylaminoethyl (2S)-2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Openeye Name: 2-diethylaminoethyl (2S)-2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate CAS Name: (2S)-2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl (2S)-2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Traditional Name: (2S)-2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid 2-diethylaminoethyl ester Formula: C21H33Cl2N3O3 MolecularWeight: 446.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C

Isomeric SMILES

CCN(CC)CCOC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C

InChI

InChI=1S/C21H33Cl2N3O3/c1-4-25(5-2)14-15-29-21(28)20(24-17(3)27)16-18-6-8-19(9-7-18)26(12-10-22)13-11-23/h6-9,20H,4-5,10-16H2,1-3H3,(H,24,27)/t20-/m0/s1