methyl 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-[(propan-2-ylamino)methyl]benzoate

Systemtic Name: methyl 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-[(propan-2-ylamino)methyl]benzoate Openeye Name: methyl 4-[(isopropylamino)methyl]-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-[(propan-2-ylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-[(propan-2-ylamino)methyl]benzoate Traditional Name: 4-[(isopropylamino)methyl]-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC(=C(C=C1)C(=O)OC)NC(=O)C=C(C)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)NCC1=CC(=C(C=C1)C(=O)OC)NC(=O)/C=C(\C)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H28N2O3/c1-17(2)27-16-19-9-12-23(26(30)31-4)24(14-19)28-25(29)13-18(3)21-11-10-20-7-5-6-8-22(20)15-21/h5-15,17,27H,16H2,1-4H3,(H,28,29)/b18-13+