ethyl 2-[3-aminocarbonyl-4-(3-dodecylphenyl)carbonyl-4H-pyridin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-aminocarbonyl-4-(3-dodecylphenyl)carbonyl-4H-pyridin-1-yl]ethanoate Openeye Name: ethyl 2-[3-carbamoyl-4-(3-dodecylbenzoyl)-4H-pyridin-1-yl]acetate CAS Name: 2-[3-carbamoyl-4-[(3-dodecylphenyl)-oxomethyl]-4H-pyridin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-carbamoyl-4-(3-dodecylbenzoyl)-4H-pyridin-1-yl]acetate Traditional Name: 2-[3-carbamoyl-4-(3-laurylbenzoyl)-4H-pyridin-1-yl]acetic acid ethyl ester Formula: C29H42N2O4 MolecularWeight: 482.65478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC(=C1)C(=O)C2C=CN(C=C2C(=O)N)CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC(=C1)C(=O)C2C=CN(C=C2C(=O)N)CC(=O)OCC

InChI

InChI=1S/C29H42N2O4/c1-3-5-6-7-8-9-10-11-12-13-15-23-16-14-17-24(20-23)28(33)25-18-19-31(21-26(25)29(30)34)22-27(32)35-4-2/h14,16-21,25H,3-13,15,22H2,1-2H3,(H2,30,34)