ethyl 2-[[2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[[2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxopropyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methyl-valeric acid ethyl ester Formula: C21H33Cl2N3O3 MolecularWeight: 446.41102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33Cl2N3O3/c1-4-29-21(28)19(13-15(2)3)25-20(27)18(24)14-16-5-7-17(8-6-16)26(11-9-22)12-10-23/h5-8,15,18-19H,4,9-14,24H2,1-3H3,(H,25,27)