3-[(3,4-dichlorophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid

Systemtic Name: 3-[(3,4-dichlorophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid Openeye Name: 3-[(3,4-dichlorophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid CAS Name: 3-[(3,4-dichlorophenyl)methyl-[(9-ethyl-3-carbazolyl)methyl]amino]propanoic acid IUPAC Name: 3-[(3,4-dichlorophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid Traditional Name: 3-[(3,4-dichlorobenzyl)-[(9-ethylcarbazol-3-yl)methyl]amino]propionic acid Formula: C25H24Cl2N2O2 MolecularWeight: 455.37626

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN(CCC(=O)O)CC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN(CCC(=O)O)CC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C41

InChI

InChI=1S/C25H24Cl2N2O2/c1-2-29-23-6-4-3-5-19(23)20-13-17(8-10-24(20)29)15-28(12-11-25(30)31)16-18-7-9-21(26)22(27)14-18/h3-10,13-14H,2,11-12,15-16H2,1H3,(H,30,31)