ethyl (2S)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-3-(4-hydroxyphenyl)propanoate dihydrochloride

Systemtic Name: ethyl (2S)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-3-(4-hydroxyphenyl)propanoate dihydrochloride Openeye Name: ethyl (2S)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-3-(4-hydroxyphenyl)propanoate dihydrochloride CAS Name: (2S)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-3-(4-hydroxyphenyl)propanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl (2S)-2-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-3-(4-hydroxyphenyl)propanoate dihydrochloride Traditional Name: (2S)-2-[[4-[bis(2-chloroethyl)amino]benzyl]amino]-3-(4-hydroxyphenyl)propionic acid ethyl ester dihydrochloride Formula: C22H30Cl4N2O3 MolecularWeight: 512.2972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NCC2=CC=C(C=C2)N(CCCl)CCCl.Cl.Cl

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NCC2=CC=C(C=C2)N(CCCl)CCCl.Cl.Cl

InChI

InChI=1S/C22H28Cl2N2O3.2ClH/c1-2-29-22(28)21(15-17-5-9-20(27)10-6-17)25-16-18-3-7-19(8-4-18)26(13-11-23)14-12-24;;/h3-10,21,25,27H,2,11-16H2,1H3;2*1H/t21-;;/m0../s1