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

Systemtic Name: 2-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]acetic acid CAS Name: 2-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]acetic acid Formula: C14H16Cl2N2O2 MolecularWeight: 315.19504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16Cl2N2O2/c15-3-5-18(6-4-16)11-1-2-13-12(8-11)10(9-17-13)7-14(19)20/h1-2,8-9,17H,3-7H2,(H,19,20)