3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid Openeye Name: 3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid CAS Name: 3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid IUPAC Name: 3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propanoic acid Traditional Name: 3-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]propionic acid Formula: C15H18Cl2N2O2 MolecularWeight: 329.22162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N(CCCl)CCCl)C(=CN2)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N(CCCl)CCCl)C(=CN2)CCC(=O)O

InChI

InChI=1S/C15H18Cl2N2O2/c16-5-7-19(8-6-17)12-2-3-14-13(9-12)11(10-18-14)1-4-15(20)21/h2-3,9-10,18H,1,4-8H2,(H,20,21)