ethyl (E)-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(4-methylpiperazin-1-yl)prop-2-enoate

Systemtic Name: ethyl (E)-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(4-methylpiperazin-1-yl)prop-2-enoate Openeye Name: ethyl (E)-2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-(4-methylpiperazin-1-yl)prop-2-enoate CAS Name: (E)-2-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-(4-methyl-1-piperazinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(4-methylpiperazin-1-yl)prop-2-enoate Traditional Name: (E)-2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-(4-methylpiperazino)acrylic acid ethyl ester Formula: C24H36N4O5 MolecularWeight: 460.56644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1CCN(CC1)C)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C\N1CCN(CC1)C)/NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H36N4O5/c1-5-32-23(30)21(16-28-13-11-27(4)12-14-28)25-22(29)20(15-18(2)3)26-24(31)33-17-19-9-7-6-8-10-19/h6-10,16,18,20H,5,11-15,17H2,1-4H3,(H,25,29)(H,26,31)/b21-16+