methyl (2S)-2-[2-[2-[bis(2-chloroethyl)amino]phenyl]ethanoylamino]-3-(1H-imidazol-5-yl)propanoate hydrochloride

Systemtic Name: methyl (2S)-2-[2-[2-[bis(2-chloroethyl)amino]phenyl]ethanoylamino]-3-(1H-imidazol-5-yl)propanoate hydrochloride Openeye Name: methyl (2S)-2-[[2-[2-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate hydrochloride CAS Name: (2S)-2-[[2-[2-[bis(2-chloroethyl)amino]phenyl]-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-[[2-[2-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate hydrochloride Traditional Name: (2S)-2-[[2-[2-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester hydrochloride Formula: C19H25Cl3N4O3 MolecularWeight: 463.7858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)CC2=CC=CC=C2N(CCCl)CCCl.Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CN=CN1)NC(=O)CC2=CC=CC=C2N(CCCl)CCCl.Cl

InChI

InChI=1S/C19H24Cl2N4O3.ClH/c1-28-19(27)16(11-15-12-22-13-23-15)24-18(26)10-14-4-2-3-5-17(14)25(8-6-20)9-7-21;/h2-5,12-13,16H,6-11H2,1H3,(H,22,23)(H,24,26);1H/t16-;/m0./s1