3-[(3-cyanophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid

Systemtic Name: 3-[(3-cyanophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid Openeye Name: 3-[(3-cyanophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid CAS Name: 3-[(3-cyanophenyl)methyl-[(9-ethyl-3-carbazolyl)methyl]amino]propanoic acid IUPAC Name: 3-[(3-cyanophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid Traditional Name: 3-[(3-cyanobenzyl)-[(9-ethylcarbazol-3-yl)methyl]amino]propionic acid Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O2/c1-2-29-24-9-4-3-8-22(24)23-15-21(10-11-25(23)29)18-28(13-12-26(30)31)17-20-7-5-6-19(14-20)16-27/h3-11,14-15H,2,12-13,17-18H2,1H3,(H,30,31)