2-diethylaminoethyl 4-[(2-acetamido-3-naphthalen-2-yl-propanoyl)amino]-3-butoxy-benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(2-acetamido-3-naphthalen-2-yl-propanoyl)amino]-3-butoxy-benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-acetamido-3-(2-naphthyl)propanoyl]amino]-3-butoxy-benzoate CAS Name: 4-[[2-acetamido-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-butoxybenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-3-butoxybenzoate Traditional Name: 4-[[2-acetamido-3-(2-naphthyl)propanoyl]amino]-3-butoxy-benzoic acid 2-diethylaminoethyl ester Formula: C32H41N3O5 MolecularWeight: 547.68504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C

InChI

InChI=1S/C32H41N3O5/c1-5-8-18-39-30-22-27(32(38)40-19-17-35(6-2)7-3)15-16-28(30)34-31(37)29(33-23(4)36)21-24-13-14-25-11-9-10-12-26(25)20-24/h9-16,20,22,29H,5-8,17-19,21H2,1-4H3,(H,33,36)(H,34,37)