3-[(3S)-1-(2-fluorophenyl)-6-methoxy-2-oxidanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbonylamino)indol-3-yl]propanoic acid

Systemtic Name: 3-[(3S)-1-(2-fluorophenyl)-6-methoxy-2-oxidanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbonylamino)indol-3-yl]propanoic acid Openeye Name: 3-[(3S)-1-(2-fluorophenyl)-6-methoxy-2-oxo-3-(tetralin-2-carbonylamino)indolin-3-yl]propanoic acid CAS Name: 3-[(3S)-1-(2-fluorophenyl)-6-methoxy-2-oxo-3-[[oxo(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]amino]-3-indolyl]propanoic acid IUPAC Name: 3-[(3S)-1-(2-fluorophenyl)-6-methoxy-2-oxo-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)indol-3-yl]propanoic acid Traditional Name: 3-[(3S)-1-(2-fluorophenyl)-2-keto-6-methoxy-3-(tetralin-2-carbonylamino)indolin-3-yl]propionic acid Formula: C29H27FN2O5 MolecularWeight: 502.533483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(=O)N2C3=CC=CC=C3F)(CCC(=O)O)NC(=O)C4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC2=C(C=C1)[C@](C(=O)N2C3=CC=CC=C3F)(CCC(=O)O)NC(=O)C4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H27FN2O5/c1-37-21-12-13-22-25(17-21)32(24-9-5-4-8-23(24)30)28(36)29(22,15-14-26(33)34)31-27(35)20-11-10-18-6-2-3-7-19(18)16-20/h2-9,12-13,17,20H,10-11,14-16H2,1H3,(H,31,35)(H,33,34)/t20?,29-/m0/s1