3-[(4,5-dimethoxy-2-nitro-phenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4,5-dimethoxy-2-nitro-phenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid Openeye Name: 3-[(4,5-dimethoxy-2-nitro-phenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid CAS Name: 3-[(4,5-dimethoxy-2-nitrophenyl)methyl-[(9-ethyl-3-carbazolyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4,5-dimethoxy-2-nitrophenyl)methyl-[(9-ethylcarbazol-3-yl)methyl]amino]propanoic acid Traditional Name: 3-[(4,5-dimethoxy-2-nitro-benzyl)-[(9-ethylcarbazol-3-yl)methyl]amino]propionic acid Formula: C27H29N3O6 MolecularWeight: 491.53566

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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[N+](=O)[O-])OC)OC)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN(CCC(=O)O)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C4=CC=CC=C41

InChI

InChI=1S/C27H29N3O6/c1-4-29-22-8-6-5-7-20(22)21-13-18(9-10-23(21)29)16-28(12-11-27(31)32)17-19-14-25(35-2)26(36-3)15-24(19)30(33)34/h5-10,13-15H,4,11-12,16-17H2,1-3H3,(H,31,32)