1-[(3-carboxyphenyl)methyl]-5-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]indole-2-carboxylic acid

Systemtic Name: 1-[(3-carboxyphenyl)methyl]-5-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]indole-2-carboxylic acid Openeye Name: 1-[(3-carboxyphenyl)methyl]-5-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]indole-2-carboxylic acid CAS Name: 1-[(3-carboxyphenyl)methyl]-5-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-2-indolecarboxylic acid IUPAC Name: 1-[(3-carboxyphenyl)methyl]-5-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]indole-2-carboxylic acid Traditional Name: 1-(3-carboxybenzyl)-5-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]indole-2-carboxylic acid Formula: C29H30N2O6 MolecularWeight: 502.5583

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=CC(=C3)C(=O)O)NCC(COC4=CC=CC=C4)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=CC(=C3)C(=O)O)NCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C29H30N2O6/c1-19(30-16-24(32)18-37-25-8-3-2-4-9-25)12-20-10-11-26-23(13-20)15-27(29(35)36)31(26)17-21-6-5-7-22(14-21)28(33)34/h2-11,13-15,19,24,30,32H,12,16-18H2,1H3,(H,33,34)(H,35,36)