5-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 5-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-1-methyl-indole-2-carboxylic acid Openeye Name: 5-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methyl-indole-2-carboxylic acid CAS Name: 5-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methyl-2-indolecarboxylic acid IUPAC Name: 5-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methylindole-2-carboxylic acid Traditional Name: 5-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methyl-indole-2-carboxylic acid Formula: C21H21Cl2N3O3 MolecularWeight: 434.31574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C(=O)C3=CC=CC=C3)N(CCCl)CCCl)C=C1C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C(=O)C3=CC=CC=C3)N(CCCl)CCCl)C=C1C(=O)O

InChI

InChI=1S/C21H21Cl2N3O3/c1-24-18-8-7-17(13-16(18)14-19(24)21(28)29)26(25(11-9-22)12-10-23)20(27)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,28,29)