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

Systemtic Name: 3-[(4-acetamidophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid Openeye Name: 3-[(4-acetamidophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid CAS Name: 3-[(4-acetamidophenyl)methyl-[(9-ethyl-3-carbazolyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-acetamidophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid Traditional Name: 3-[(4-acetamidobenzyl)-[(9-ethylcarbazol-3-yl)methyl]amino]propionic acid Formula: C27H29N3O3 MolecularWeight: 443.53746

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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)NC(=O)C)C4=CC=CC=C41

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3/c1-3-30-25-7-5-4-6-23(25)24-16-21(10-13-26(24)30)18-29(15-14-27(32)33)17-20-8-11-22(12-9-20)28-19(2)31/h4-13,16H,3,14-15,17-18H2,1-2H3,(H,28,31)(H,32,33)