(phenylmethyl) 4-[[(Z)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]butanoate

Systemtic Name: (phenylmethyl) 4-[[(Z)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]butanoate Openeye Name: benzyl 4-[[(Z)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(Z)-2-benzamido-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(Z)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(Z)-2-benzamido-3-(4-bromophenyl)acryloyl]amino]butyric acid benzyl ester Formula: C27H25BrN2O4 MolecularWeight: 521.4024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCNC(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCNC(=O)/C(=C/C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H25BrN2O4/c28-23-15-13-20(14-16-23)18-24(30-26(32)22-10-5-2-6-11-22)27(33)29-17-7-12-25(31)34-19-21-8-3-1-4-9-21/h1-6,8-11,13-16,18H,7,12,17,19H2,(H,29,33)(H,30,32)/b24-18-