ethyl 2-azanyl-5-[[(E)-3-naphthalen-2-ylbut-2-enoyl]-pentyl-amino]benzoate

Systemtic Name: ethyl 2-azanyl-5-[[(E)-3-naphthalen-2-ylbut-2-enoyl]-pentyl-amino]benzoate Openeye Name: ethyl 2-amino-5-[[(E)-3-(2-naphthyl)but-2-enoyl]-pentyl-amino]benzoate CAS Name: 2-amino-5-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]-pentylamino]benzoic acid ethyl ester IUPAC Name: ethyl 2-amino-5-[[(E)-3-naphthalen-2-ylbut-2-enoyl]-pentylamino]benzoate Traditional Name: 2-amino-5-[amyl-[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid ethyl ester Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=CC(=C(C=C1)N)C(=O)OCC)C(=O)C=C(C)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCN(C1=CC(=C(C=C1)N)C(=O)OCC)C(=O)/C=C(\C)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C28H32N2O3/c1-4-6-9-16-30(24-14-15-26(29)25(19-24)28(32)33-5-2)27(31)17-20(3)22-13-12-21-10-7-8-11-23(21)18-22/h7-8,10-15,17-19H,4-6,9,16,29H2,1-3H3/b20-17+