3-[(4-tert-butylphenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-[(9-ethyl-3-carbazolyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid Traditional Name: 3-[(4-tert-butylbenzyl)-[(9-ethylcarbazol-3-yl)methyl]amino]propionic acid Formula: C29H34N2O2 MolecularWeight: 442.59246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O2/c1-5-31-26-9-7-6-8-24(26)25-18-22(12-15-27(25)31)20-30(17-16-28(32)33)19-21-10-13-23(14-11-21)29(2,3)4/h6-15,18H,5,16-17,19-20H2,1-4H3,(H,32,33)