(phenylmethyl) 2-[[(E)-2-[(4-butoxyphenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(E)-2-[(4-butoxyphenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]ethanoate Openeye Name: benzyl 2-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-2-[[(4-butoxyphenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenyl-acryloyl]amino]acetic acid benzyl ester Formula: C29H30N2O5 MolecularWeight: 486.5589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H30N2O5/c1-2-3-18-35-25-16-14-24(15-17-25)28(33)31-26(19-22-10-6-4-7-11-22)29(34)30-20-27(32)36-21-23-12-8-5-9-13-23/h4-17,19H,2-3,18,20-21H2,1H3,(H,30,34)(H,31,33)/b26-19+