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

Systemtic Name: 1-[(3-aminocarbonylphenyl)methyl]-5-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]indole-2-carboxylic acid Openeye Name: 1-[(3-carbamoylphenyl)methyl]-5-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]indole-2-carboxylic acid CAS Name: 1-[(3-carbamoylphenyl)methyl]-5-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-2-indolecarboxylic acid IUPAC Name: 1-[(3-carbamoylphenyl)methyl]-5-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]indole-2-carboxylic acid Traditional Name: 1-(3-carbamoylbenzyl)-5-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]indole-2-carboxylic acid Formula: C29H31N3O5 MolecularWeight: 501.57354

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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)N)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)N)NCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C29H31N3O5/c1-19(31-16-24(33)18-37-25-8-3-2-4-9-25)12-20-10-11-26-23(13-20)15-27(29(35)36)32(26)17-21-6-5-7-22(14-21)28(30)34/h2-11,13-15,19,24,31,33H,12,16-18H2,1H3,(H2,30,34)(H,35,36)