methyl 4-[3-(dimethylamino)prop-1-ynyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[3-(dimethylamino)prop-1-ynyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Openeye Name: methyl 4-[3-(dimethylamino)prop-1-ynyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 4-[3-(dimethylamino)prop-1-ynyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(dimethylamino)prop-1-ynyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Traditional Name: 4-[3-(dimethylamino)prop-1-ynyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C#CCN(C)C)C(=O)OC)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C#CCN(C)C)C(=O)OC)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H26N2O3/c1-19(22-13-12-21-9-5-6-10-23(21)18-22)16-26(30)28-25-17-20(8-7-15-29(2)3)11-14-24(25)27(31)32-4/h5-6,9-14,16-18H,15H2,1-4H3,(H,28,30)/b19-16-