methyl 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(pyrrolidin-1-ylmethyl)benzoate

Systemtic Name: methyl 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(pyrrolidin-1-ylmethyl)benzoate Openeye Name: methyl 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(pyrrolidin-1-ylmethyl)benzoate CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-(1-pyrrolidinylmethyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(pyrrolidin-1-ylmethyl)benzoate Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(pyrrolidinomethyl)benzoic acid methyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)CN2CCCC2)C(=O)OC)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)CN2CCCC2)C(=O)OC)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H28N2O3/c1-19(22-11-10-21-7-3-4-8-23(21)17-22)15-26(30)28-25-16-20(18-29-13-5-6-14-29)9-12-24(25)27(31)32-2/h3-4,7-12,15-17H,5-6,13-14,18H2,1-2H3,(H,28,30)/b19-15-