N,N-bis(2-chloroethyl)-2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine hydrochloride

Systemtic Name: N,N-bis(2-chloroethyl)-2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine hydrochloride Openeye Name: N,N-bis(2-chloroethyl)-2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine hydrochloride CAS Name: N,N-bis(2-chloroethyl)-2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine hydrochloride IUPAC Name: N,N-bis(2-chloroethyl)-2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine hydrochloride Traditional Name: bis(2-chloroethyl)-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]amine hydrochloride Formula: C28H32Cl3NO MolecularWeight: 504.91878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(CCCl)CCCl)C3=CC=CC=C3.Cl

Isomeric SMILES

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(CCCl)CCCl)/C3=CC=CC=C3.Cl

InChI

InChI=1S/C28H31Cl2NO.ClH/c1-2-27(23-9-5-3-6-10-23)28(24-11-7-4-8-12-24)25-13-15-26(16-14-25)32-22-21-31(19-17-29)20-18-30;/h3-16H,2,17-22H2,1H3;1H/b28-27-;