2-[3-[(E)-2-cyano-3-oxidanylidene-3-(3-phenylpropylamino)prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-2-cyano-3-oxidanylidene-3-(3-phenylpropylamino)prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(3-phenylpropylamino)prop-1-enyl]indol-1-yl]acetic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N

InChI

InChI=1S/C23H21N3O3/c24-14-18(23(29)25-12-6-9-17-7-2-1-3-8-17)13-19-15-26(16-22(27)28)21-11-5-4-10-20(19)21/h1-5,7-8,10-11,13,15H,6,9,12,16H2,(H,25,29)(H,27,28)/b18-13+