ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C22H23Cl2N3O3 MolecularWeight: 448.34232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl

InChI

InChI=1S/C22H23Cl2N3O3/c1-2-30-22(29)20-14-16-13-17(5-8-19(16)26-20)25-21(28)15-3-6-18(7-4-15)27(11-9-23)12-10-24/h3-8,13-14,26H,2,9-12H2,1H3,(H,25,28)