methyl 4-[[7-(2-ethylbutylcarbamoyl)naphthalen-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[7-(2-ethylbutylcarbamoyl)naphthalen-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[7-(2-ethylbutylcarbamoyl)-1-naphthyl]methyl]-3-methoxy-benzoate CAS Name: 4-[[7-[(2-ethylbutylamino)-oxomethyl]-1-naphthalenyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[7-(2-ethylbutylcarbamoyl)naphthalen-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[7-(2-ethylbutylcarbamoyl)-1-naphthyl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC(=O)C1=CC2=C(C=CC=C2CC3=C(C=C(C=C3)C(=O)OC)OC)C=C1

Isomeric SMILES

CCC(CC)CNC(=O)C1=CC2=C(C=CC=C2CC3=C(C=C(C=C3)C(=O)OC)OC)C=C1

InChI

InChI=1S/C27H31NO4/c1-5-18(6-2)17-28-26(29)22-12-10-19-8-7-9-20(24(19)15-22)14-21-11-13-23(27(30)32-4)16-25(21)31-3/h7-13,15-16,18H,5-6,14,17H2,1-4H3,(H,28,29)