methyl 3-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(4-bromo-3-methoxy-2-naphthoyl)amino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C26H28BrN3O4 MolecularWeight: 526.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br

InChI

InChI=1S/C26H28BrN3O4/c1-4-29-11-13-30(14-12-29)22-10-9-18(26(32)34-3)16-21(22)28-25(31)20-15-17-7-5-6-8-19(17)23(27)24(20)33-2/h5-10,15-16H,4,11-14H2,1-3H3,(H,28,31)