2-[(1S)-1-[[1-[(3-aminocarbonylphenyl)methyl]-2,3-dihydroindol-7-yl]carbonylamino]ethyl]benzoic acid

Systemtic Name: 2-[(1S)-1-[[1-[(3-aminocarbonylphenyl)methyl]-2,3-dihydroindol-7-yl]carbonylamino]ethyl]benzoic acid Openeye Name: 2-[(1S)-1-[[1-[(3-carbamoylphenyl)methyl]indoline-7-carbonyl]amino]ethyl]benzoic acid CAS Name: 2-[(1S)-1-[[[1-[(3-carbamoylphenyl)methyl]-2,3-dihydroindol-7-yl]-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 2-[(1S)-1-[[1-[(3-carbamoylphenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]ethyl]benzoic acid Traditional Name: 2-[(1S)-1-[[1-(3-carbamoylbenzyl)indoline-7-carbonyl]amino]ethyl]benzoic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C(=O)O)NC(=O)C2=C3C(=CC=C2)CCN3CC4=CC=CC(=C4)C(=O)N

Isomeric SMILES

C[C@@H](C1=CC=CC=C1C(=O)O)NC(=O)C2=C3C(=CC=C2)CCN3CC4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C26H25N3O4/c1-16(20-9-2-3-10-21(20)26(32)33)28-25(31)22-11-5-7-18-12-13-29(23(18)22)15-17-6-4-8-19(14-17)24(27)30/h2-11,14,16H,12-13,15H2,1H3,(H2,27,30)(H,28,31)(H,32,33)/t16-/m0/s1