1-[(4-nitrophenyl)methyl]-3-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]indole-2-carboxylic acid

Systemtic Name: 1-[(4-nitrophenyl)methyl]-3-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]indole-2-carboxylic acid Openeye Name: 3-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-1-[(4-nitrophenyl)methyl]indole-2-carboxylic acid CAS Name: 3-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1-[(4-nitrophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1-[(4-nitrophenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-1-(4-nitrobenzyl)indole-2-carboxylic acid Formula: C28H29N3O6 MolecularWeight: 503.54636

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(N(C2=CC=CC=C21)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)NCC(COC4=CC=CC=C4)O

Isomeric SMILES

CC(CC1=C(N(C2=CC=CC=C21)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)NCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C28H29N3O6/c1-19(29-16-22(32)18-37-23-7-3-2-4-8-23)15-25-24-9-5-6-10-26(24)30(27(25)28(33)34)17-20-11-13-21(14-12-20)31(35)36/h2-14,19,22,29,32H,15-18H2,1H3,(H,33,34)